1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one

C19H14ClN3O2 — CID 16767176

IUPAC1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
SMILESCc1cc(=O)n2c3ccccc3nc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O2/c1-12-10-18(25)23-16-5-3-2-4-15(16)21-19(23)22(12)11-17(24)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3
InChIKeyPBWOXPFYNDLGCV-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one

1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 16767176) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID16767176
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
SMILESCc1cc(=O)n2c3ccccc3nc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O2/c1-12-10-18(25)23-16-5-3-2-4-15(16)21-19(23)22(12)11-17(24)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3
InChIKeyPBWOXPFYNDLGCV-UHFFFAOYSA-N
XLogP3.49
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate
CID 17228782
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
5-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazino[2,3-a]benzimidazol-3-one
CID 1492952
3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 17035851
1-(4-chlorophenyl)-2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997817
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968393
1-(4-chlorophenyl)-2-[2-[4-(dimethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone
CID 67462508
1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
CID 23847688
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569
3-[2-(4-chlorophenyl)-2-oxoethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one (CID 16767176) is 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one is Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is PBWOXPFYNDLGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-12-10-18(25)23-16-5-3-2-4-15(16)21-19(23)22(12)11-17(24)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 351.79 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 16767176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).