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

C19H17N5O3 — CID 135682767

IUPAC(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C19H17N5O3/c1-11(25)20-12-6-8-13(9-7-12)21-18(27)16-10-17(26)23-19-22-14-4-2-3-5-15(14)24(16)19/h2-9,16H,10H2,1H3,(H,20,25)(H,21,27)(H,22,23,26)/t16-/m1/s1
InChIKeyRUZOSXQLLLPHEA-MRXNPFEDSA-N
MW363.38 g/mol
LogP2.52
Rot. Bonds3

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

(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135682767) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135682767
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C19H17N5O3/c1-11(25)20-12-6-8-13(9-7-12)21-18(27)16-10-17(26)23-19-22-14-4-2-3-5-15(14)24(16)19/h2-9,16H,10H2,1H3,(H,20,25)(H,21,27)(H,22,23,26)/t16-/m1/s1
InChIKeyRUZOSXQLLLPHEA-MRXNPFEDSA-N
XLogP2.52
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (CID 135682767) is (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)cc1.
What is the InChIKey of (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is RUZOSXQLLLPHEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11(25)20-12-6-8-13(9-7-12)21-18(27)16-10-17(26)23-19-22-14-4-2-3-5-15(14)24(16)19/h2-9,16H,10H2,1H3,(H,20,25)(H,21,27)(H,22,23,26)/t16-/m1/s1.
What are the key properties of (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135682767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).