N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide

C16H15ClN6O — CID 53172146

IUPACN-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCN(C)c1cc(-n2cnc(C(=O)Nc3cccc(Cl)c3)c2)ncn1
InChIInChI=1S/C16H15ClN6O/c1-22(2)14-7-15(19-9-18-14)23-8-13(20-10-23)16(24)21-12-5-3-4-11(17)6-12/h3-10H,1-2H3,(H,21,24)
InChIKeyXKMIJMUNIZBVFJ-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.63
Rot. Bonds4

About N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide

N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide (PubChem CID 53172146) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide
PubChem CID53172146
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC NameN-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCN(C)c1cc(-n2cnc(C(=O)Nc3cccc(Cl)c3)c2)ncn1
InChIInChI=1S/C16H15ClN6O/c1-22(2)14-7-15(19-9-18-14)23-8-13(20-10-23)16(24)21-12-5-3-4-11(17)6-12/h3-10H,1-2H3,(H,21,24)
InChIKeyXKMIJMUNIZBVFJ-UHFFFAOYSA-N
XLogP2.63
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide
CID 53172140
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
CID 146154715
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171985
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide (CID 53172146) is N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide is CN(C)c1cc(-n2cnc(C(=O)Nc3cccc(Cl)c3)c2)ncn1.
What is the InChIKey of N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide?
The InChIKey is XKMIJMUNIZBVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-22(2)14-7-15(19-9-18-14)23-8-13(20-10-23)16(24)21-12-5-3-4-11(17)6-12/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide?
N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 53172146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).