4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide

C17H14N4O2 — CID 3804869

IUPAC4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H14N4O2/c22-15-10-13(16(23)18-11-6-2-1-3-7-11)20-17-19-12-8-4-5-9-14(12)21(15)17/h1-9,13H,10H2,(H,18,23)(H,19,20)
InChIKeyGTFSUIDNOOTAFE-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.50
Rot. Bonds2

About 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide

4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 3804869) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID3804869
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H14N4O2/c22-15-10-13(16(23)18-11-6-2-1-3-7-11)20-17-19-12-8-4-5-9-14(12)21(15)17/h1-9,13H,10H2,(H,18,23)(H,19,20)
InChIKeyGTFSUIDNOOTAFE-UHFFFAOYSA-N
XLogP2.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 3804869) is 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide is O=C(Nc1ccccc1)C1CC(=O)n2c(nc3ccccc32)N1.
What is the InChIKey of 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is GTFSUIDNOOTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-15-10-13(16(23)18-11-6-2-1-3-7-11)20-17-19-12-8-4-5-9-14(12)21(15)17/h1-9,13H,10H2,(H,18,23)(H,19,20).
What are the key properties of 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenyl-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 3804869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).