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

C21H19FN4O2 — CID 45031785

IUPAC2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H19FN4O2/c1-13(2)23-19(27)12-25-17-5-3-4-6-18(17)26-20(28)11-16(24-21(25)26)14-7-9-15(22)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyNXTBKZCUJKEQCR-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.98
Rot. Bonds4

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

2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide (PubChem CID 45031785) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
PubChem CID45031785
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H19FN4O2/c1-13(2)23-19(27)12-25-17-5-3-4-6-18(17)26-20(28)11-16(24-21(25)26)14-7-9-15(22)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyNXTBKZCUJKEQCR-UHFFFAOYSA-N
XLogP2.98
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
CID 145704745
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
CID 53376045
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 664058
(R)-4-fluoro-1-isopropyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067835
(R)-1-ethyl-4-fluoro-3-(1-(3-fluorophenyl)-3-(methylamino)propyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067945
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
CID 1109829
2-(10-Ethyl-3,4-dioxo-3,4-dihydro-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-2-yl)-N-(4-isopropyl-phenyl)-acetamide
CID 1435114
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 4785048
N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 10741712
2-(3-(1-(cyclohexylmethyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46880152
4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 118722107
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 135446356

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide (CID 45031785) is 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
The InChIKey is NXTBKZCUJKEQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13(2)23-19(27)12-25-17-5-3-4-6-18(17)26-20(28)11-16(24-21(25)26)14-7-9-15(22)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide?
2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide has a molecular weight of 378.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 45031785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).