(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole

C24H20FN3 — CID 136790394

IUPAC(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1C
InChIInChI=1S/C24H20FN3/c1-15-11-12-17(13-16(15)2)21-14-23(18-7-3-4-8-19(18)25)28-22-10-6-5-9-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyJAIGJINBIKLSBX-HSZRJFAPSA-N
MW369.44 g/mol
LogP5.85
Rot. Bonds2

About (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole

(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 136790394) has the molecular formula C24H20FN3 and a molecular weight of 369.44 g/mol. Its IUPAC name is (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID136790394
Molecular FormulaC24H20FN3
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1C
InChIInChI=1S/C24H20FN3/c1-15-11-12-17(13-16(15)2)21-14-23(18-7-3-4-8-19(18)25)28-22-10-6-5-9-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyJAIGJINBIKLSBX-HSZRJFAPSA-N
XLogP5.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4198425
(4S)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136856790
(4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136856789
(4S)-4-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136824895
2-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4296144
(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667879
4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 3357002
4-(2-chloro-6-fluorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4165235
(4S)-4-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667926
(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 1327806
(4S)-4-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136882596
(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136902560

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 136790394) is (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is Cc1ccc(C2=C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1C.
What is the InChIKey of (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is JAIGJINBIKLSBX-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20FN3/c1-15-11-12-17(13-16(15)2)21-14-23(18-7-3-4-8-19(18)25)28-22-10-6-5-9-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27)/t23-/m1/s1.
What are the key properties of (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 369.44 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136790394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).