 Home > Encyclopedia > [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate structure

CAS No:
730974-64-8
Formula:
C25H22N4O5
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate
Synonyms:
ZINC3282038;Z15421966;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate;730974-64-8

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Basic Attributes

Molecular Weight：

458.5 g/mol

Exact Mass：

458.15901982 g/mol

Characteristics

PSA：

136 Å²

Computed Properties

Molecular Weight:458.5
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:458.15901982
Monoisotopic Mass:458.15901982
Topological Polar Surface Area:136
Heavy Atom Count:34
Complexity:906
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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