2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile

C17H15N3 — CID 104712614

IUPAC2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCCc1ccccc1-c1nc2ccc(C#N)cc2n1C
InChIInChI=1S/C17H15N3/c1-3-13-6-4-5-7-14(13)17-19-15-9-8-12(11-18)10-16(15)20(17)2/h4-10H,3H2,1-2H3
InChIKeyUWRMAPCSAPYMNV-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.67
Rot. Bonds2

About 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile

2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712614) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712614
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCCc1ccccc1-c1nc2ccc(C#N)cc2n1C
InChIInChI=1S/C17H15N3/c1-3-13-6-4-5-7-14(13)17-19-15-9-8-12(11-18)10-16(15)20(17)2/h4-10H,3H2,1-2H3
InChIKeyUWRMAPCSAPYMNV-UHFFFAOYSA-N
XLogP3.67
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712694
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
2-butyl-3-methylbenzimidazole-5-carbonitrile
CID 104712322
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile (CID 104712614) is 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile is CCc1ccccc1-c1nc2ccc(C#N)cc2n1C.
What is the InChIKey of 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is UWRMAPCSAPYMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-3-13-6-4-5-7-14(13)17-19-15-9-8-12(11-18)10-16(15)20(17)2/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile?
2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).