1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile

C21H19N5 — CID 22379915

IUPAC1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(Cn2ccnc2-c2cccc(C)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C21H19N5/c1-3-26-19-8-7-16(13-22)12-18(19)24-20(26)14-25-10-9-23-21(25)17-6-4-5-15(2)11-17/h4-12H,3,14H2,1-2H3
InChIKeyWYOLTSVFPJQSAT-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.15
Rot. Bonds4

About 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile

1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile (PubChem CID 22379915) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile
PubChem CID22379915
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(Cn2ccnc2-c2cccc(C)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C21H19N5/c1-3-26-19-8-7-16(13-22)12-18(19)24-20(26)14-25-10-9-23-21(25)17-6-4-5-15(2)11-17/h4-12H,3,14H2,1-2H3
InChIKeyWYOLTSVFPJQSAT-UHFFFAOYSA-N
XLogP4.15
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22380091
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200
3-[1-[(5-bromo-1-ethylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
CID 68630281
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22380108
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile
CID 22379972
3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
CID 155910347
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
2-butyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040583
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
CID 65040414

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile (CID 22379915) is 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile is CCn1c(Cn2ccnc2-c2cccc(C)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile?
The InChIKey is WYOLTSVFPJQSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-3-26-19-8-7-16(13-22)12-18(19)24-20(26)14-25-10-9-23-21(25)17-6-4-5-15(2)11-17/h4-12H,3,14H2,1-2H3.
What are the key properties of 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile?
1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 22379915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).