4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile

C18H17N3O — CID 82333781

IUPAC4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
SMILESCCc1ccc2c(c1)nc(CO)n2Cc1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O/c1-2-13-7-8-17-16(9-13)20-18(12-22)21(17)11-15-5-3-14(10-19)4-6-15/h3-9,22H,2,11-12H2,1H3
InChIKeyBNIRNMVQYZJFDS-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.01
Rot. Bonds4

About 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile

4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 82333781) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID82333781
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
SMILESCCc1ccc2c(c1)nc(CO)n2Cc1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O/c1-2-13-7-8-17-16(9-13)20-18(12-22)21(17)11-15-5-3-14(10-19)4-6-15/h3-9,22H,2,11-12H2,1H3
InChIKeyBNIRNMVQYZJFDS-UHFFFAOYSA-N
XLogP3.01
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158119
2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
CID 82333726
4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzonitrile
CID 39158183
2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 68764810
4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82149266
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
1-[[2-(dichloromethoxy)phenyl]methyl]-2-(hydroxymethyl)benzimidazole-5-carbonitrile
CID 141385654
1-chloro-2-ethylbenzimidazole-5-carbonitrile
CID 141051765
4-[(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158131
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311196
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476

Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile (CID 82333781) is 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile is CCc1ccc2c(c1)nc(CO)n2Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is BNIRNMVQYZJFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-13-7-8-17-16(9-13)20-18(12-22)21(17)11-15-5-3-14(10-19)4-6-15/h3-9,22H,2,11-12H2,1H3.
What are the key properties of 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile?
4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 291.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82333781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).