2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide

C21H19ClN4O2 — CID 45031676

IUPAC2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C21H19ClN4O2/c1-13(2)23-19(27)12-25-17-8-3-4-9-18(17)26-20(28)11-16(24-21(25)26)14-6-5-7-15(22)10-14/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyWWWGCPLLLCMCCP-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.49
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide (PubChem CID 45031676) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
PubChem CID45031676
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C21H19ClN4O2/c1-13(2)23-19(27)12-25-17-8-3-4-9-18(17)26-20(28)11-16(24-21(25)26)14-6-5-7-15(22)10-14/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyWWWGCPLLLCMCCP-UHFFFAOYSA-N
XLogP3.49
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
CID 53376045
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)-3-chlorobenzamide
CID 44577955
(E)-3-(3,4-dichlorophenyl)-N-[5-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentyl]prop-2-enamide
CID 44533451
2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(2,4-difluorophenyl)acetamide
CID 50821545
2-{2-[Benzyl(methyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(4-chloro-2-fluorophenyl)acetamide
CID 91904086
2-{2-[Benzyl(methyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(3-chloro-4-fluorophenyl)acetamide
CID 91904090
1-(1-(3-chlorobenzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 145974614
1-(3-chloro-2-methylanilino)-7-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421196
2-(5-chloro-2-oxo-3-{[N-benzylcarbamoyl]methyl}(3-hydrobenzimidazolyl))-N-benz ylacetamide
CID 1897210
2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(propan-2-yl)acetamide
CID 45031785
N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]acetamide
CID 53035348
10-(1-Phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
CID 71652243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide (CID 45031676) is 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The InChIKey is WWWGCPLLLCMCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-13(2)23-19(27)12-25-17-8-3-4-9-18(17)26-20(28)11-16(24-21(25)26)14-6-5-7-15(22)10-14/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide has a molecular weight of 394.86 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 45031676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).