N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine

C18H19N3 — CID 52932926

IUPACN-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine
SMILESc1ccc(-c2nc3c(NC4CCCC4)cccc3[nH]2)cc1
InChIInChI=1S/C18H19N3/c1-2-7-13(8-3-1)18-20-16-12-6-11-15(17(16)21-18)19-14-9-4-5-10-14/h1-3,6-8,11-12,14,19H,4-5,9-10H2,(H,20,21)
InChIKeyLGSRYOFSTJLCST-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.58
Rot. Bonds3

About N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine

N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine (PubChem CID 52932926) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine
PubChem CID52932926
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine
SMILESc1ccc(-c2nc3c(NC4CCCC4)cccc3[nH]2)cc1
InChIInChI=1S/C18H19N3/c1-2-7-13(8-3-1)18-20-16-12-6-11-15(17(16)21-18)19-14-9-4-5-10-14/h1-3,6-8,11-12,14,19H,4-5,9-10H2,(H,20,21)
InChIKeyLGSRYOFSTJLCST-UHFFFAOYSA-N
XLogP4.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine?
The IUPAC name of N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine (CID 52932926) is N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine.
What is the SMILES notation for N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine?
The canonical SMILES for N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine is c1ccc(-c2nc3c(NC4CCCC4)cccc3[nH]2)cc1.
What is the InChIKey of N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine?
The InChIKey is LGSRYOFSTJLCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-7-13(8-3-1)18-20-16-12-6-11-15(17(16)21-18)19-14-9-4-5-10-14/h1-3,6-8,11-12,14,19H,4-5,9-10H2,(H,20,21).
What are the key properties of N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine?
N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-phenyl-1H-benzimidazol-4-amine is sourced from PubChem (CID 52932926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).