(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone

C23H18ClN3O — CID 102413641

IUPAC(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone
SMILESCc1nc(Nc2ccccc2)n(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O/c1-16-21(22(28)17-12-14-18(24)15-13-17)27(20-10-6-3-7-11-20)23(25-16)26-19-8-4-2-5-9-19/h2-15H,1H3,(H,25,26)
InChIKeyKJSNOXGZIPJUHQ-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.81
Rot. Bonds5

About (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone

(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone (PubChem CID 102413641) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone
PubChem CID102413641
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone
SMILESCc1nc(Nc2ccccc2)n(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O/c1-16-21(22(28)17-12-14-18(24)15-13-17)27(20-10-6-3-7-11-20)23(25-16)26-19-8-4-2-5-9-19/h2-15H,1H3,(H,25,26)
InChIKeyKJSNOXGZIPJUHQ-UHFFFAOYSA-N
XLogP5.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 20790680
6-chloro-N,1-diphenylbenzimidazol-2-amine
CID 46854683
3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82297670
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone
CID 13162445
1-(4-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 853334
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-1-(4-chlorophenyl)ethanone
CID 72725167

Frequently Asked Questions

What is the IUPAC name of (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone (CID 102413641) is (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone is Cc1nc(Nc2ccccc2)n(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone?
The InChIKey is KJSNOXGZIPJUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c1-16-21(22(28)17-12-14-18(24)15-13-17)27(20-10-6-3-7-11-20)23(25-16)26-19-8-4-2-5-9-19/h2-15H,1H3,(H,25,26).
What are the key properties of (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone?
(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone has a molecular weight of 387.87 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 102413641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).