3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one

C14H13ClN2O — CID 142700499

IUPAC3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one
SMILESO=C1CCC(n2cnc(-c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C14H13ClN2O/c15-11-3-1-10(2-4-11)14-8-17(9-16-14)12-5-6-13(18)7-12/h1-4,8-9,12H,5-7H2
InChIKeyJPGIDPIZAKWVAG-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.50
Rot. Bonds2

About 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one

3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one (PubChem CID 142700499) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one
PubChem CID142700499
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one
SMILESO=C1CCC(n2cnc(-c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C14H13ClN2O/c15-11-3-1-10(2-4-11)14-8-17(9-16-14)12-5-6-13(18)7-12/h1-4,8-9,12H,5-7H2
InChIKeyJPGIDPIZAKWVAG-UHFFFAOYSA-N
XLogP3.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one?
The IUPAC name of 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one (CID 142700499) is 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one is O=C1CCC(n2cnc(-c3ccc(Cl)cc3)c2)C1.
What is the InChIKey of 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one?
The InChIKey is JPGIDPIZAKWVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-11-3-1-10(2-4-11)14-8-17(9-16-14)12-5-6-13(18)7-12/h1-4,8-9,12H,5-7H2.
What are the key properties of 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one?
3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one has a molecular weight of 260.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)imidazol-1-yl]cyclopentan-1-one is sourced from PubChem (CID 142700499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).