2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile

C16H20N4 — CID 106008067

IUPAC2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(CCCC3CCCC3)c2c1
InChIInChI=1S/C16H20N4/c17-11-13-7-8-14-15(10-13)20(16(18)19-14)9-3-6-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H2,18,19)
InChIKeyBCQZIQUNTKRLSJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds4

About 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile

2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile (PubChem CID 106008067) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile
PubChem CID106008067
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(CCCC3CCCC3)c2c1
InChIInChI=1S/C16H20N4/c17-11-13-7-8-14-15(10-13)20(16(18)19-14)9-3-6-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H2,18,19)
InChIKeyBCQZIQUNTKRLSJ-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

1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
CID 106008013
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-amino-3-(thiolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 113444546
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
2-(chloromethyl)-3-(cyclobutylmethyl)benzimidazole-5-carbonitrile
CID 113444574
2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile
CID 104715124
2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
CID 104714857
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile (CID 106008067) is 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(CCCC3CCCC3)c2c1.
What is the InChIKey of 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile?
The InChIKey is BCQZIQUNTKRLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-11-13-7-8-14-15(10-13)20(16(18)19-14)9-3-6-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H2,18,19).
What are the key properties of 2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile?
2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-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-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 106008067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).