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

C18H13F3N4O2 — CID 136742051

IUPAC(4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)10-5-7-11(8-6-10)22-16(27)14-9-15(26)24-17-23-12-3-1-2-4-13(12)25(14)17/h1-8,14H,9H2,(H,22,27)(H,23,24,26)/t14-/m1/s1
InChIKeyHEVICLSBNHUYCB-CQSZACIVSA-N
MW374.32 g/mol
LogP3.58
Rot. Bonds2

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

(4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 136742051) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID136742051
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name(4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)10-5-7-11(8-6-10)22-16(27)14-9-15(26)24-17-23-12-3-1-2-4-13(12)25(14)17/h1-8,14H,9H2,(H,22,27)(H,23,24,26)/t14-/m1/s1
InChIKeyHEVICLSBNHUYCB-CQSZACIVSA-N
XLogP3.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-(4-acetamidophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135682767
N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135636125
(4R)-N-(2-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135958091
(4R)-N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135557428
(4R)-N-(2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 136749539
N-(4-fluorophenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4906492
methyl 4-methoxy-3-[[(4S)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carbonyl]amino]benzoate
CID 136742049
(4S)-N-(2-methyl-4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135958148
2-methyl-4-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 4689065
N-(4-fluorophenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646825
(7R)-N-(4-ethylphenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 137095726
(7R)-5-oxo-N-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136892896

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (CID 136742051) is (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is O=C1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)n2c(nc3ccccc32)N1.
What is the InChIKey of (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is HEVICLSBNHUYCB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c19-18(20,21)10-5-7-11(8-6-10)22-16(27)14-9-15(26)24-17-23-12-3-1-2-4-13(12)25(14)17/h1-8,14H,9H2,(H,22,27)(H,23,24,26)/t14-/m1/s1.
What are the key properties of (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
(4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 136742051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).