2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one

C15H12ClN3O — CID 1454523

IUPAC2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one
SMILESO=C1CN=C(Nc2ccccc2Cl)N1c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-12-8-4-5-9-13(12)18-15-17-10-14(20)19(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyUTLDJDYSSKTXLC-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.15
Rot. Bonds2

About 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one

2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one (PubChem CID 1454523) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one
PubChem CID1454523
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one
SMILESO=C1CN=C(Nc2ccccc2Cl)N1c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-12-8-4-5-9-13(12)18-15-17-10-14(20)19(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyUTLDJDYSSKTXLC-UHFFFAOYSA-N
XLogP3.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride
CID 6602615
1-phenyl-2-(propan-2-ylamino)-4H-imidazol-5-one
CID 139070987
2-(3-methoxyanilino)-1-phenyl-4H-imidazol-5-one
CID 1454517
2-methylsulfanyl-1-phenyl-4H-imidazol-5-one iodide
CID 21176733
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride
CID 171668604
(2R)-N-(2-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941150
N-(2-chlorophenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 7393004
2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one
CID 10497320
1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one
CID 1454551
1-[(2-chloroanilino)methyl]pyrrolidine-2,5-dione
CID 761544
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one?
The IUPAC name of 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one (CID 1454523) is 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one.
What is the SMILES notation for 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one?
The canonical SMILES for 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one is O=C1CN=C(Nc2ccccc2Cl)N1c1ccccc1.
What is the InChIKey of 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one?
The InChIKey is UTLDJDYSSKTXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-8-4-5-9-13(12)18-15-17-10-14(20)19(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18).
What are the key properties of 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one?
2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one has a molecular weight of 285.73 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-1-phenyl-4H-imidazol-5-one is sourced from PubChem (CID 1454523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).