3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine

C15H18ClN3 — CID 115473273

IUPAC3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nc3ccc(Cl)cc3n2C2CC2)C1
InChIInChI=1S/C15H18ClN3/c16-10-2-6-13-14(8-10)19(12-4-5-12)15(18-13)9-1-3-11(17)7-9/h2,6,8-9,11-12H,1,3-5,7,17H2
InChIKeyJDRAWQCIEKDSEJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.62
Rot. Bonds2

About 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine

3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine (PubChem CID 115473273) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
PubChem CID115473273
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nc3ccc(Cl)cc3n2C2CC2)C1
InChIInChI=1S/C15H18ClN3/c16-10-2-6-13-14(8-10)19(12-4-5-12)15(18-13)9-1-3-11(17)7-9/h2,6,8-9,11-12H,1,3-5,7,17H2
InChIKeyJDRAWQCIEKDSEJ-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine (CID 115473273) is 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine is NC1CCC(c2nc3ccc(Cl)cc3n2C2CC2)C1.
What is the InChIKey of 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine?
The InChIKey is JDRAWQCIEKDSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-10-2-6-13-14(8-10)19(12-4-5-12)15(18-13)9-1-3-11(17)7-9/h2,6,8-9,11-12H,1,3-5,7,17H2.
What are the key properties of 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine?
3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 115473273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).