3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide

C19H13ClN4O — CID 101412486

IUPAC3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nc2ncccn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN4O/c20-14-9-7-13(8-10-14)17-16(23-19-21-11-4-12-24(17)19)18(25)22-15-5-2-1-3-6-15/h1-12H,(H,22,25)
InChIKeyJTZROKVEJSNINN-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.30
Rot. Bonds3

About 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide

3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 101412486) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID101412486
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nc2ncccn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN4O/c20-14-9-7-13(8-10-14)17-16(23-19-21-11-4-12-24(17)19)18(25)22-15-5-2-1-3-6-15/h1-12H,(H,22,25)
InChIKeyJTZROKVEJSNINN-UHFFFAOYSA-N
XLogP4.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 53168289
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol
CID 68624360
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoxaline-2-carboxamide
CID 122285827
2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 34879780
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300429
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 7338215
2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide
CID 51059742
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 101412486) is 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide is O=C(Nc1ccccc1)c1nc2ncccn2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is JTZROKVEJSNINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-14-9-7-13(8-10-14)17-16(23-19-21-11-4-12-24(17)19)18(25)22-15-5-2-1-3-6-15/h1-12H,(H,22,25).
What are the key properties of 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide?
3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 101412486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).