(2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide

C18H16N4O3 — CID 901263

IUPAC(2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)cc1
InChIInChI=1S/C18H16N4O3/c1-25-12-8-6-11(7-9-12)19-17(24)14-10-16(23)22-15-5-3-2-4-13(15)20-18(22)21-14/h2-9,14H,10H2,1H3,(H,19,24)(H,20,21)/t14-/m0/s1
InChIKeyXEUWTDBMZRSHIB-AWEZNQCLSA-N
MW336.35 g/mol
LogP2.51
Rot. Bonds3

About (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide

(2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 901263) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID901263
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name(2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)cc1
InChIInChI=1S/C18H16N4O3/c1-25-12-8-6-11(7-9-12)19-17(24)14-10-16(23)22-15-5-3-2-4-13(15)20-18(22)21-14/h2-9,14H,10H2,1H3,(H,19,24)(H,20,21)/t14-/m0/s1
InChIKeyXEUWTDBMZRSHIB-AWEZNQCLSA-N
XLogP2.51
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 901265
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CID 41032248
(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135682767
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CID 35280532
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CID 23994153
(4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
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(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
CID 99811453
(4R)-4-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 901263) is (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is XEUWTDBMZRSHIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-12-8-6-11(7-9-12)19-17(24)14-10-16(23)22-15-5-3-2-4-13(15)20-18(22)21-14/h2-9,14H,10H2,1H3,(H,19,24)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
(2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 901263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).