2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile

C13H13N3 — CID 82492655

IUPAC2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile
SMILESCc1nc2cc(CC#N)ccc2n1C1CC1
InChIInChI=1S/C13H13N3/c1-9-15-12-8-10(6-7-14)2-5-13(12)16(9)11-3-4-11/h2,5,8,11H,3-4,6H2,1H3
InChIKeyAHZMXNDYDUVEHQ-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.75
Rot. Bonds2

About 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile

2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile (PubChem CID 82492655) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile
PubChem CID82492655
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile
SMILESCc1nc2cc(CC#N)ccc2n1C1CC1
InChIInChI=1S/C13H13N3/c1-9-15-12-8-10(6-7-14)2-5-13(12)16(9)11-3-4-11/h2,5,8,11H,3-4,6H2,1H3
InChIKeyAHZMXNDYDUVEHQ-UHFFFAOYSA-N
XLogP2.75
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-5-ethynyl-2-methylbenzimidazole
CID 162380804
3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole
CID 166374041
2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid
CID 82500329
3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide
CID 96679538
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
2-(2,3-dimethylbenzimidazol-5-yl)acetonitrile
CID 84769737
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-2-methylpropan-1-ol
CID 117362935
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82495003
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)cyclobutan-1-amine
CID 117355811

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile?
The IUPAC name of 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile (CID 82492655) is 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile?
The canonical SMILES for 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile is Cc1nc2cc(CC#N)ccc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile?
The InChIKey is AHZMXNDYDUVEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9-15-12-8-10(6-7-14)2-5-13(12)16(9)11-3-4-11/h2,5,8,11H,3-4,6H2,1H3.
What are the key properties of 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile?
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile has a molecular weight of 211.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile is sourced from PubChem (CID 82492655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).