2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine

C16H23N3 — CID 82380447

IUPAC2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
SMILESCC(C)Cn1c(C2CCCC2)nc2cc(N)ccc21
InChIInChI=1S/C16H23N3/c1-11(2)10-19-15-8-7-13(17)9-14(15)18-16(19)12-5-3-4-6-12/h7-9,11-12H,3-6,10,17H2,1-2H3
InChIKeyHRHXZVGYBAJTPH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.93
Rot. Bonds3

About 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine

2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine (PubChem CID 82380447) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
PubChem CID82380447
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
SMILESCC(C)Cn1c(C2CCCC2)nc2cc(N)ccc21
InChIInChI=1S/C16H23N3/c1-11(2)10-19-15-8-7-13(17)9-14(15)18-16(19)12-5-3-4-6-12/h7-9,11-12H,3-6,10,17H2,1-2H3
InChIKeyHRHXZVGYBAJTPH-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine (CID 82380447) is 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine is CC(C)Cn1c(C2CCCC2)nc2cc(N)ccc21.
What is the InChIKey of 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine?
The InChIKey is HRHXZVGYBAJTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)10-19-15-8-7-13(17)9-14(15)18-16(19)12-5-3-4-6-12/h7-9,11-12H,3-6,10,17H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine?
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine is sourced from PubChem (CID 82380447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).