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

C18H15ClN4O2 — CID 135958091

IUPAC(4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c(Cl)c1
InChIInChI=1S/C18H15ClN4O2/c1-10-6-7-12(11(19)8-10)20-17(25)15-9-16(24)22-18-21-13-4-2-3-5-14(13)23(15)18/h2-8,15H,9H2,1H3,(H,20,25)(H,21,22,24)/t15-/m1/s1
InChIKeyITFCYSCKLROJDM-OAHLLOKOSA-N
MW354.80 g/mol
LogP3.52
Rot. Bonds2

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

(4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135958091) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135958091
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name(4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c(Cl)c1
InChIInChI=1S/C18H15ClN4O2/c1-10-6-7-12(11(19)8-10)20-17(25)15-9-16(24)22-18-21-13-4-2-3-5-14(13)23(15)18/h2-8,15H,9H2,1H3,(H,20,25)(H,21,22,24)/t15-/m1/s1
InChIKeyITFCYSCKLROJDM-OAHLLOKOSA-N
XLogP3.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135557428
(4S)-N-(2-methyl-4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135958148
(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135682767
methyl 4-methoxy-3-[[(4S)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carbonyl]amino]benzoate
CID 136742049
(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
N-(2-fluoro-4-methylphenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646863
N-(2,5-dimethylphenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646852
N-(2,5-dimethylphenyl)-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 135915662
(7S)-N-(3-chloro-2-methylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135849052
(5R)-N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875874

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (CID 135958091) is (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c(Cl)c1.
What is the InChIKey of (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is ITFCYSCKLROJDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-10-6-7-12(11(19)8-10)20-17(25)15-9-16(24)22-18-21-13-4-2-3-5-14(13)23(15)18/h2-8,15H,9H2,1H3,(H,20,25)(H,21,22,24)/t15-/m1/s1.
What are the key properties of (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
(4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135958091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).