(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole

C23H16F3N3 — CID 136902560

IUPAC(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)c1ccccc1[C@H]1C=C(c2ccccc2)Nc2nc3ccccc3n21
InChIInChI=1S/C23H16F3N3/c24-23(25,26)17-11-5-4-10-16(17)21-14-19(15-8-2-1-3-9-15)28-22-27-18-12-6-7-13-20(18)29(21)22/h1-14,21H,(H,27,28)/t21-/m1/s1
InChIKeyZWXCQLXYSLDQCY-OAQYLSRUSA-N
MW391.40 g/mol
LogP6.11
Rot. Bonds2

About (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole

(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 136902560) has the molecular formula C23H16F3N3 and a molecular weight of 391.40 g/mol. Its IUPAC name is (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID136902560
Molecular FormulaC23H16F3N3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)c1ccccc1[C@H]1C=C(c2ccccc2)Nc2nc3ccccc3n21
InChIInChI=1S/C23H16F3N3/c24-23(25,26)17-11-5-4-10-16(17)21-14-19(15-8-2-1-3-9-15)28-22-27-18-12-6-7-13-20(18)29(21)22/h1-14,21H,(H,27,28)/t21-/m1/s1
InChIKeyZWXCQLXYSLDQCY-OAQYLSRUSA-N
XLogP6.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 1327806
(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 135682744
(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 135682715
(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667879
(4S)-4-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136824895
(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136790394
(4S)-4-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136882596
4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 3357002
(4S)-4-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667926
(4R)-2-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136715249
(4S)-4-(2-chloro-6-fluorophenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136668102
2-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4296144

Frequently Asked Questions

What is the IUPAC name of (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 136902560) is (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole is FC(F)(F)c1ccccc1[C@H]1C=C(c2ccccc2)Nc2nc3ccccc3n21.
What is the InChIKey of (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is ZWXCQLXYSLDQCY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H16F3N3/c24-23(25,26)17-11-5-4-10-16(17)21-14-19(15-8-2-1-3-9-15)28-22-27-18-12-6-7-13-20(18)29(21)22/h1-14,21H,(H,27,28)/t21-/m1/s1.
What are the key properties of (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole?
(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 391.40 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136902560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).