 Home > Encyclopedia > 2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol structure

CAS No:
857066-90-1
Formula:
C32H42N6O3
Chemical Name:
2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Synonyms:
2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;TMC 353121;2-{[6-({[2-(3-Hydroxypropyl)-5-methylphenyl]amino}methyl)-2-{[3-(4-morpholinyl)propyl]amino}-1H-benzimidazol-1-yl]methyl}-6-methyl-3-pyridinol;TMC 353121; TMC-353121;3-Pyridinol, 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-

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2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol Basic Attributes

Molecular Weight：

558.71

Exact Mass：

558.33183922

UNII：

538EBT31Z1

DSSTox ID：

DTXSID10235008

Characteristics

PSA：

110.93000

XLogP3：

3.90600

Density：

1.25

Melting Point：

208℃

Boiling Point：

822.4±75.0 °C(Predicted)

PKA：

9.21±0.10

Drug Information

MeSH Entry Terms：

2-(6-((2-(3-hydroxypropyl)-5-methylphenylamino)methyl)-2-(3-morpholin-4-ylpropylamino)benzoimidazol-1-ylmethyl)-6-methylpyridin-3-ol

Computed Properties

Molecular Weight:558.7
XLogP3:4.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:558.33183922
Monoisotopic Mass:558.33183922
Topological Polar Surface Area:108
Heavy Atom Count:41
Complexity:757
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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