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

C24H20BrN3 — CID 136856789

IUPAC(4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=C[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1C
InChIInChI=1S/C24H20BrN3/c1-15-7-8-18(13-16(15)2)21-14-23(17-9-11-19(25)12-10-17)28-22-6-4-3-5-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyFVCBECBRWBVZJX-HSZRJFAPSA-N
MW430.35 g/mol
LogP6.47
Rot. Bonds2

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

(4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 136856789) has the molecular formula C24H20BrN3 and a molecular weight of 430.35 g/mol. Its IUPAC name is (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID136856789
Molecular FormulaC24H20BrN3
Molecular Weight430.35 g/mol
Exact Mass429.08
IUPAC Name(4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=C[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1C
InChIInChI=1S/C24H20BrN3/c1-15-7-8-18(13-16(15)2)21-14-23(17-9-11-19(25)12-10-17)28-22-6-4-3-5-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyFVCBECBRWBVZJX-HSZRJFAPSA-N
XLogP6.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.35
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136856790
(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 135682715
(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136790394
4-(2,3-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4198425
(4R)-2-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136715249
7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4188889
(4S)-4-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136824895
(4S)-2-(4-chlorophenyl)-4-(4-ethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667921
(4R)-4-(4-bromophenyl)-2-[2-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136668141
(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667879
2-(4-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4976973
4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 3357002

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 136856789) is (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is Cc1ccc(C2=C[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1C.
What is the InChIKey of (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is FVCBECBRWBVZJX-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20BrN3/c1-15-7-8-18(13-16(15)2)21-14-23(17-9-11-19(25)12-10-17)28-22-6-4-3-5-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27)/t23-/m1/s1.
What are the key properties of (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
(4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 430.35 g/mol, XLogP of 6.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136856789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).