 Home > Encyclopedia > 2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile

2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile

2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile structure

CAS No:
736931-83-2
Formula:
C21H18N6O2S
Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile
Synonyms:
ZINC3302277;Z25377558;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-{[5-(3-methylfuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanenitrile;736931-83-2

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2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile Basic Attributes

Molecular Weight：

418.5 g/mol

Exact Mass：

418.12119501 g/mol

Characteristics

PSA：

142 Å²

Computed Properties

Molecular Weight:418.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:418.12119501
Monoisotopic Mass:418.12119501
Topological Polar Surface Area:142
Heavy Atom Count:30
Complexity:709
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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