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

C15H13Cl2N5O — CID 1119736

IUPAC1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
SMILESCc1cc(C)nc(NC2=NCC(=O)N2c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H13Cl2N5O/c1-8-3-9(2)20-14(19-8)21-15-18-7-13(23)22(15)12-5-10(16)4-11(17)6-12/h3-6H,7H2,1-2H3,(H,18,19,20,21)
InChIKeyUGJSQTWEEILOEH-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.21
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (PubChem CID 1119736) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
PubChem CID1119736
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
SMILESCc1cc(C)nc(NC2=NCC(=O)N2c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H13Cl2N5O/c1-8-3-9(2)20-14(19-8)21-15-18-7-13(23)22(15)12-5-10(16)4-11(17)6-12/h3-6H,7H2,1-2H3,(H,18,19,20,21)
InChIKeyUGJSQTWEEILOEH-UHFFFAOYSA-N
XLogP3.21
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
CID 2306588
N4-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2730123
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 714358
(R)-N-(1-(6-aminopyrimidin-4-yl)piperidin-3-yl)-2-(3,5-dichlorophenylamino)acetamide
CID 67969299
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
N-(3-chlorophenyl)-4,6-dimethyl-2-pyrimidinamine hydrochloride
CID 2969483
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (CID 1119736) is 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is Cc1cc(C)nc(NC2=NCC(=O)N2c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The InChIKey is UGJSQTWEEILOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-8-3-9(2)20-14(19-8)21-15-18-7-13(23)22(15)12-5-10(16)4-11(17)6-12/h3-6H,7H2,1-2H3,(H,18,19,20,21).
What are the key properties of 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one has a molecular weight of 350.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is sourced from PubChem (CID 1119736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).