4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile

C17H21N3 — CID 82501811

IUPAC4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile
SMILESCn1c(C2CCCC2)nc2cc(CCCC#N)ccc21
InChIInChI=1S/C17H21N3/c1-20-16-10-9-13(6-4-5-11-18)12-15(16)19-17(20)14-7-2-3-8-14/h9-10,12,14H,2-8H2,1H3
InChIKeyXISWFSSLICGZMC-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.08
Rot. Bonds4

About 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile

4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile (PubChem CID 82501811) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile.

Molecular Properties

Compound Name4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile
PubChem CID82501811
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile
SMILESCn1c(C2CCCC2)nc2cc(CCCC#N)ccc21
InChIInChI=1S/C17H21N3/c1-20-16-10-9-13(6-4-5-11-18)12-15(16)19-17(20)14-7-2-3-8-14/h9-10,12,14H,2-8H2,1H3
InChIKeyXISWFSSLICGZMC-UHFFFAOYSA-N
XLogP4.08
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
CID 96674760
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82497493
(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone
CID 82501905
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine
CID 82501979
4-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)butanenitrile
CID 82150457
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile?
The IUPAC name of 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile (CID 82501811) is 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile.
What is the SMILES notation for 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile?
The canonical SMILES for 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile is Cn1c(C2CCCC2)nc2cc(CCCC#N)ccc21.
What is the InChIKey of 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile?
The InChIKey is XISWFSSLICGZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-20-16-10-9-13(6-4-5-11-18)12-15(16)19-17(20)14-7-2-3-8-14/h9-10,12,14H,2-8H2,1H3.
What are the key properties of 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile?
4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile has a molecular weight of 267.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile is sourced from PubChem (CID 82501811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).