2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine

C12H14ClN3 — CID 64812039

IUPAC2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine
SMILESNC1CCCC1c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H14ClN3/c13-8-4-2-6-10-11(8)16-12(15-10)7-3-1-5-9(7)14/h2,4,6-7,9H,1,3,5,14H2,(H,15,16)
InChIKeyPUOXQXVWSFZJGS-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.81
Rot. Bonds1

About 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine

2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine (PubChem CID 64812039) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine
PubChem CID64812039
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine
SMILESNC1CCCC1c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H14ClN3/c13-8-4-2-6-10-11(8)16-12(15-10)7-3-1-5-9(7)14/h2,4,6-7,9H,1,3,5,14H2,(H,15,16)
InChIKeyPUOXQXVWSFZJGS-UHFFFAOYSA-N
XLogP2.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine (CID 64812039) is 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine is NC1CCCC1c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The InChIKey is PUOXQXVWSFZJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-8-4-2-6-10-11(8)16-12(15-10)7-3-1-5-9(7)14/h2,4,6-7,9H,1,3,5,14H2,(H,15,16).
What are the key properties of 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine?
2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine has a molecular weight of 235.72 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-benzimidazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 64812039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).