1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one

C15H13ClFN5O — CID 714358

IUPAC1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
SMILESCc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H13ClFN5O/c1-8-5-9(2)20-14(19-8)21-15-18-7-13(23)22(15)10-3-4-12(17)11(16)6-10/h3-6H,7H2,1-2H3,(H,18,19,20,21)
InChIKeyZCLHPPBTVIEWFP-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.70
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one

1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (PubChem CID 714358) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
PubChem CID714358
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
SMILESCc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H13ClFN5O/c1-8-5-9(2)20-14(19-8)21-15-18-7-13(23)22(15)10-3-4-12(17)11(16)6-10/h3-6H,7H2,1-2H3,(H,18,19,20,21)
InChIKeyZCLHPPBTVIEWFP-UHFFFAOYSA-N
XLogP2.70
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one with MolForge

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Related Compounds

1-(4-Chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
CID 2306588
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one
CID 658477
3-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,5-dihydro-4H-imidazol-4-one
CID 658606
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (3-chloro-phenyl)-amide
CID 3224223
N-Acetyl-N'-(2,4-difluoro-phenyl)-N''-(4,6-dimethyl-pyrimidin-2-yl)-guanidine
CID 135437314
N''-acetyl-N-(2,4-dichlorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine
CID 135457737
CT-179
CID 122520266
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N-phenyl-acetamide
CID 650125
3-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,5-dihydro-4H-imidazol-4-one
CID 658566
3-(3,5-dichlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3,5-dihydro-4H-imidazol-4-one
CID 1119736
N-(3,4-dichlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 1214046

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (CID 714358) is 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The InChIKey is ZCLHPPBTVIEWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c1-8-5-9(2)20-14(19-8)21-15-18-7-13(23)22(15)10-3-4-12(17)11(16)6-10/h3-6H,7H2,1-2H3,(H,18,19,20,21).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one has a molecular weight of 333.75 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is sourced from PubChem (CID 714358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).