2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one

C21H22ClN3O — CID 59262361

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCCC2)N=C1N
InChIInChI=1S/C21H22ClN3O/c1-25-19(26)21(24-20(25)23,16-8-2-3-9-16)17-10-4-6-14(12-17)15-7-5-11-18(22)13-15/h4-7,10-13,16H,2-3,8-9H2,1H3,(H2,23,24)
InChIKeyTYMVGXIPQGTWEX-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.18
Rot. Bonds3

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one (PubChem CID 59262361) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one
PubChem CID59262361
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCCC2)N=C1N
InChIInChI=1S/C21H22ClN3O/c1-25-19(26)21(24-20(25)23,16-8-2-3-9-16)17-10-4-6-14(12-17)15-7-5-11-18(22)13-15/h4-7,10-13,16H,2-3,8-9H2,1H3,(H2,23,24)
InChIKeyTYMVGXIPQGTWEX-UHFFFAOYSA-N
XLogP4.18
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one (CID 59262361) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one is CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCCC2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one?
The InChIKey is TYMVGXIPQGTWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-25-19(26)21(24-20(25)23,16-8-2-3-9-16)17-10-4-6-14(12-17)15-7-5-11-18(22)13-15/h4-7,10-13,16H,2-3,8-9H2,1H3,(H2,23,24).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one has a molecular weight of 367.88 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one is sourced from PubChem (CID 59262361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).