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

C20H20ClN3O — CID 59387607

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(CC2CC2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,12-13-8-9-13)16-6-2-4-14(10-16)15-5-3-7-17(21)11-15/h2-7,10-11,13H,8-9,12H2,1H3,(H2,22,23)
InChIKeyPKPHSCAXKJAHAV-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.79
Rot. Bonds4

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one (PubChem CID 59387607) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one
PubChem CID59387607
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(CC2CC2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,12-13-8-9-13)16-6-2-4-14(10-16)15-5-3-7-17(21)11-15/h2-7,10-11,13H,8-9,12H2,1H3,(H2,22,23)
InChIKeyPKPHSCAXKJAHAV-UHFFFAOYSA-N
XLogP3.79
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2e)-2-Imino-3-Methyl-5,5-Diphenylimidazolidin-4-One
CID 15054176
3-[3-(2-Amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
CID 11624078
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one
CID 11738522
2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16050931
2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051040
2-Amino-3-pentyl-5,5-diphenylimidazol-4-one
CID 44530658
2-amino-4-(3-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 45488113
2-Amino-5-(2-cyclohexylethyl)-3-methyl-5-phenylimidazol-4-one
CID 57843806
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one
CID 59262361
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one
CID 59262444
2-Amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one
CID 59262464
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one
CID 59262465

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one (CID 59387607) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one is CN1C(=O)C(CC2CC2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one?
The InChIKey is PKPHSCAXKJAHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,12-13-8-9-13)16-6-2-4-14(10-16)15-5-3-7-17(21)11-15/h2-7,10-11,13H,8-9,12H2,1H3,(H2,22,23).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one has a molecular weight of 353.85 g/mol, XLogP of 3.79, 4 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-(cyclopropylmethyl)-3-methylimidazol-4-one is sourced from PubChem (CID 59387607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).