2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide

C14H10ClN5O2 — CID 123348623

IUPAC2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1ccn2c(C(N)=O)c(-c3cccc(Cl)c3)nc2n1
InChIInChI=1S/C14H10ClN5O2/c15-8-3-1-2-7(6-8)10-11(13(17)22)20-5-4-9(12(16)21)18-14(20)19-10/h1-6H,(H2,16,21)(H2,17,22)
InChIKeyJSKUSKFBXNTPLP-UHFFFAOYSA-N
MW315.72 g/mol
LogP1.25
Rot. Bonds3

About 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide

2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide (PubChem CID 123348623) has the molecular formula C14H10ClN5O2 and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide
PubChem CID123348623
Molecular FormulaC14H10ClN5O2
Molecular Weight315.72 g/mol
Exact Mass315.05
IUPAC Name2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1ccn2c(C(N)=O)c(-c3cccc(Cl)c3)nc2n1
InChIInChI=1S/C14H10ClN5O2/c15-8-3-1-2-7(6-8)10-11(13(17)22)20-5-4-9(12(16)21)18-14(20)19-10/h1-6H,(H2,16,21)(H2,17,22)
InChIKeyJSKUSKFBXNTPLP-UHFFFAOYSA-N
XLogP1.25
TPSA116.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 172865563
2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71281270
4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 14677472
6-(3-chlorophenyl)-5-methoxypyridine-2-carboxylic acid
CID 71087250
[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea
CID 142737984
5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 68801294
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2380079
N-[2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694390
2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852140

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide (CID 123348623) is 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1ccn2c(C(N)=O)c(-c3cccc(Cl)c3)nc2n1.
What is the InChIKey of 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is JSKUSKFBXNTPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O2/c15-8-3-1-2-7(6-8)10-11(13(17)22)20-5-4-9(12(16)21)18-14(20)19-10/h1-6H,(H2,16,21)(H2,17,22).
What are the key properties of 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide?
2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 315.72 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 123348623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).