(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone

C13H8ClN3O — CID 7150862

IUPAC(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc2ncccn12
InChIInChI=1S/C13H8ClN3O/c14-10-4-2-9(3-5-10)12(18)11-8-16-13-15-6-1-7-17(11)13/h1-8H
InChIKeyQONAVQIYUSXPRK-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.61
Rot. Bonds2

About (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone

(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone (PubChem CID 7150862) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
PubChem CID7150862
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc2ncccn12
InChIInChI=1S/C13H8ClN3O/c14-10-4-2-9(3-5-10)12(18)11-8-16-13-15-6-1-7-17(11)13/h1-8H
InChIKeyQONAVQIYUSXPRK-UHFFFAOYSA-N
XLogP2.61
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

imidazo[1,2-a]pyrimidin-3-yl(naphthalen-2-yl)methanone
CID 4611263
N-cyclohexyl-N-ethyl-4-(imidazo[1,2-a]pyrimidine-3-carbonyl)benzamide
CID 46847214
1-benzofuran-2-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 7150864
3-chloroimidazo[1,2-a]pyrimidine
CID 15179743
2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
CID 166942027
4-(imidazo[1,2-a]pyridine-3-carbonyl)benzoic acid
CID 67003128
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-pyrazol-1-ylmethanone
CID 4289053
4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891669
imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945526
9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 171945520

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The IUPAC name of (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone (CID 7150862) is (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone is O=C(c1ccc(Cl)cc1)c1cnc2ncccn12.
What is the InChIKey of (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The InChIKey is QONAVQIYUSXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-10-4-2-9(3-5-10)12(18)11-8-16-13-15-6-1-7-17(11)13/h1-8H.
What are the key properties of (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone?
(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone has a molecular weight of 257.68 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 7150862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).