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

C16H18N4O2 — CID 135636125

IUPACN-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C1CC(C(=O)NC2CCCC2)n2c(nc3ccccc32)N1
InChIInChI=1S/C16H18N4O2/c21-14-9-13(15(22)17-10-5-1-2-6-10)20-12-8-4-3-7-11(12)18-16(20)19-14/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,17,22)(H,18,19,21)
InChIKeyBIRSPZUWHHIUEY-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.98
Rot. Bonds2

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

N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135636125) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135636125
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C1CC(C(=O)NC2CCCC2)n2c(nc3ccccc32)N1
InChIInChI=1S/C16H18N4O2/c21-14-9-13(15(22)17-10-5-1-2-6-10)20-12-8-4-3-7-11(12)18-16(20)19-14/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,17,22)(H,18,19,21)
InChIKeyBIRSPZUWHHIUEY-UHFFFAOYSA-N
XLogP1.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (CID 135636125) is N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is O=C1CC(C(=O)NC2CCCC2)n2c(nc3ccccc32)N1.
What is the InChIKey of N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is BIRSPZUWHHIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-14-9-13(15(22)17-10-5-1-2-6-10)20-12-8-4-3-7-11(12)18-16(20)19-14/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,17,22)(H,18,19,21).
What are the key properties of N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135636125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).