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

C15H14ClN5O — CID 658606

IUPAC1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
SMILESCc1cc(C)nc(NC2=NCC(=O)N2c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H14ClN5O/c1-9-7-10(2)19-14(18-9)20-15-17-8-13(22)21(15)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H,17,18,19,20)
InChIKeyUQTAMSLFVPUNCR-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.56
Rot. Bonds2

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

1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (PubChem CID 658606) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
PubChem CID658606
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
SMILESCc1cc(C)nc(NC2=NCC(=O)N2c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H14ClN5O/c1-9-7-10(2)19-14(18-9)20-15-17-8-13(22)21(15)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H,17,18,19,20)
InChIKeyUQTAMSLFVPUNCR-UHFFFAOYSA-N
XLogP2.56
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (CID 658606) is 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The InChIKey is UQTAMSLFVPUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-9-7-10(2)19-14(18-9)20-15-17-8-13(22)21(15)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one has a molecular weight of 315.76 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is sourced from PubChem (CID 658606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).