2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide

C18H16N4O2 — CID 135638166

IUPAC2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide
SMILESO=C(CC1Cn2c(nc3ccccc32)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-16(19-13-6-2-1-3-7-13)10-12-11-22-15-9-5-4-8-14(15)20-18(22)21-17(12)24/h1-9,12H,10-11H2,(H,19,23)(H,20,21,24)
InChIKeyDKYRQZKITNWCCI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.63
Rot. Bonds3

About 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide

2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide (PubChem CID 135638166) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide
PubChem CID135638166
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide
SMILESO=C(CC1Cn2c(nc3ccccc32)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-16(19-13-6-2-1-3-7-13)10-12-11-22-15-9-5-4-8-14(15)20-18(22)21-17(12)24/h1-9,12H,10-11H2,(H,19,23)(H,20,21,24)
InChIKeyDKYRQZKITNWCCI-UHFFFAOYSA-N
XLogP2.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide (CID 135638166) is 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide is O=C(CC1Cn2c(nc3ccccc32)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide?
The InChIKey is DKYRQZKITNWCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-16(19-13-6-2-1-3-7-13)10-12-11-22-15-9-5-4-8-14(15)20-18(22)21-17(12)24/h1-9,12H,10-11H2,(H,19,23)(H,20,21,24).
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide?
2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide has a molecular weight of 320.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 135638166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).