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

C17H13FN4O2 — CID 3159866

IUPACN-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC(=O)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H13FN4O2/c18-10-5-7-11(8-6-10)19-16(24)13-9-15(23)22-14-4-2-1-3-12(14)20-17(22)21-13/h1-8,13H,9H2,(H,19,24)(H,20,21)
InChIKeyICAISFJGTSPGIP-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.64
Rot. Bonds2

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

N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 3159866) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID3159866
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC NameN-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC(=O)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H13FN4O2/c18-10-5-7-11(8-6-10)19-16(24)13-9-15(23)22-14-4-2-1-3-12(14)20-17(22)21-13/h1-8,13H,9H2,(H,19,24)(H,20,21)
InChIKeyICAISFJGTSPGIP-UHFFFAOYSA-N
XLogP2.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 3159866) is N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide is O=C(Nc1ccc(F)cc1)C1CC(=O)n2c(nc3ccccc32)N1.
What is the InChIKey of N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is ICAISFJGTSPGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-10-5-7-11(8-6-10)19-16(24)13-9-15(23)22-14-4-2-1-3-12(14)20-17(22)21-13/h1-8,13H,9H2,(H,19,24)(H,20,21).
What are the key properties of N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 3159866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).