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

C19H18N4O4 — CID 135557428

IUPAC(4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c(OC)c1
InChIInChI=1S/C19H18N4O4/c1-26-11-7-8-13(16(9-11)27-2)20-18(25)15-10-17(24)22-19-21-12-5-3-4-6-14(12)23(15)19/h3-9,15H,10H2,1-2H3,(H,20,25)(H,21,22,24)/t15-/m1/s1
InChIKeyBCWLGGNGIZTLHV-OAHLLOKOSA-N
MW366.38 g/mol
LogP2.58
Rot. Bonds4

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

(4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135557428) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135557428
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name(4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c(OC)c1
InChIInChI=1S/C19H18N4O4/c1-26-11-7-8-13(16(9-11)27-2)20-18(25)15-10-17(24)22-19-21-12-5-3-4-6-14(12)23(15)19/h3-9,15H,10H2,1-2H3,(H,20,25)(H,21,22,24)/t15-/m1/s1
InChIKeyBCWLGGNGIZTLHV-OAHLLOKOSA-N
XLogP2.58
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-N-(2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 136749539
methyl 4-methoxy-3-[[(4S)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carbonyl]amino]benzoate
CID 136742049
(4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135958091
(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135682767
(4S)-N-(2-methyl-4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135958148
N-(2,4-dimethoxyphenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4899941
(4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 136742051
N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135636125
(7S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135950838
(7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940719
(7R)-N-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136865734
N-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2981207

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (CID 135557428) is (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c(OC)c1.
What is the InChIKey of (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is BCWLGGNGIZTLHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-26-11-7-8-13(16(9-11)27-2)20-18(25)15-10-17(24)22-19-21-12-5-3-4-6-14(12)23(15)19/h3-9,15H,10H2,1-2H3,(H,20,25)(H,21,22,24)/t15-/m1/s1.
What are the key properties of (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
(4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135557428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).