1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile

C18H15N3 — CID 65040414

IUPAC1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
SMILESCc1cccc(-c2nc3cc(C#N)ccc3n2C2CC2)c1
InChIInChI=1S/C18H15N3/c1-12-3-2-4-14(9-12)18-20-16-10-13(11-19)5-8-17(16)21(18)15-6-7-15/h2-5,8-10,15H,6-7H2,1H3
InChIKeyFNIDZGPFERWYLK-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.22
Rot. Bonds2

About 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile

1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile (PubChem CID 65040414) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
PubChem CID65040414
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
SMILESCc1cccc(-c2nc3cc(C#N)ccc3n2C2CC2)c1
InChIInChI=1S/C18H15N3/c1-12-3-2-4-14(9-12)18-20-16-10-13(11-19)5-8-17(16)21(18)15-6-7-15/h2-5,8-10,15H,6-7H2,1H3
InChIKeyFNIDZGPFERWYLK-UHFFFAOYSA-N
XLogP4.22
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79808607
1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
CID 65040130
2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile
CID 106856275
1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
CID 83151476
2-(3-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034830
3-[8-(3-methylphenyl)-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile
CID 24954756
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile (CID 65040414) is 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile is Cc1cccc(-c2nc3cc(C#N)ccc3n2C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile?
The InChIKey is FNIDZGPFERWYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-12-3-2-4-14(9-12)18-20-16-10-13(11-19)5-8-17(16)21(18)15-6-7-15/h2-5,8-10,15H,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65040414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).