7-chloro-1-cyclopentylbenzimidazol-2-amine

C12H14ClN3 — CID 43661582

IUPAC7-chloro-1-cyclopentylbenzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1C1CCCC1
InChIInChI=1S/C12H14ClN3/c13-9-6-3-7-10-11(9)16(12(14)15-10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,14,15)
InChIKeyMTGWKVNBJUZLLY-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.39
Rot. Bonds1

About 7-chloro-1-cyclopentylbenzimidazol-2-amine

7-chloro-1-cyclopentylbenzimidazol-2-amine (PubChem CID 43661582) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 7-chloro-1-cyclopentylbenzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-cyclopentylbenzimidazol-2-amine
PubChem CID43661582
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name7-chloro-1-cyclopentylbenzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1C1CCCC1
InChIInChI=1S/C12H14ClN3/c13-9-6-3-7-10-11(9)16(12(14)15-10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,14,15)
InChIKeyMTGWKVNBJUZLLY-UHFFFAOYSA-N
XLogP3.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopentylbenzimidazol-2-amine?
The IUPAC name of 7-chloro-1-cyclopentylbenzimidazol-2-amine (CID 43661582) is 7-chloro-1-cyclopentylbenzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-cyclopentylbenzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-cyclopentylbenzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1C1CCCC1.
What is the InChIKey of 7-chloro-1-cyclopentylbenzimidazol-2-amine?
The InChIKey is MTGWKVNBJUZLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-9-6-3-7-10-11(9)16(12(14)15-10)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,14,15).
What are the key properties of 7-chloro-1-cyclopentylbenzimidazol-2-amine?
7-chloro-1-cyclopentylbenzimidazol-2-amine has a molecular weight of 235.72 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopentylbenzimidazol-2-amine is sourced from PubChem (CID 43661582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).