2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile

C16H20N4 — CID 106008009

IUPAC2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2CCCC1CCCC1
InChIInChI=1S/C16H20N4/c17-11-13-8-3-9-14-15(13)19-16(18)20(14)10-4-7-12-5-1-2-6-12/h3,8-9,12H,1-2,4-7,10H2,(H2,18,19)
InChIKeyCMUWPUCJJCHNEV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds4

About 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile

2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile (PubChem CID 106008009) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
PubChem CID106008009
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2CCCC1CCCC1
InChIInChI=1S/C16H20N4/c17-11-13-8-3-9-14-15(13)19-16(18)20(14)10-4-7-12-5-1-2-6-12/h3,8-9,12H,1-2,4-7,10H2,(H2,18,19)
InChIKeyCMUWPUCJJCHNEV-UHFFFAOYSA-N
XLogP3.46
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile
CID 106008067
2-amino-1-(oxolan-3-ylmethyl)benzimidazole-4-carbonitrile
CID 113445020
1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
CID 54932950
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989
2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
CID 104718640
2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile
CID 104718973
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole-4-carbonitrile
CID 104719797
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile (CID 106008009) is 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(N)n2CCCC1CCCC1.
What is the InChIKey of 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile?
The InChIKey is CMUWPUCJJCHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-11-13-8-3-9-14-15(13)19-16(18)20(14)10-4-7-12-5-1-2-6-12/h3,8-9,12H,1-2,4-7,10H2,(H2,18,19).
What are the key properties of 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile?
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 106008009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).