(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole

C22H16BrN3 — CID 135682715

IUPAC(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESBrc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C22H16BrN3/c23-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)25-22-24-18-8-4-5-9-20(18)26(21)22/h1-14,21H,(H,24,25)/t21-/m0/s1
InChIKeyGHQDMNNDNUCUPQ-NRFANRHFSA-N
MW402.30 g/mol
LogP5.85
Rot. Bonds2

About (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole

(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 135682715) has the molecular formula C22H16BrN3 and a molecular weight of 402.30 g/mol. Its IUPAC name is (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID135682715
Molecular FormulaC22H16BrN3
Molecular Weight402.30 g/mol
Exact Mass401.05
IUPAC Name(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESBrc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C22H16BrN3/c23-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)25-22-24-18-8-4-5-9-20(18)26(21)22/h1-14,21H,(H,24,25)/t21-/m0/s1
InChIKeyGHQDMNNDNUCUPQ-NRFANRHFSA-N
XLogP5.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(4R)-4-(4-bromophenyl)-2-[2-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136668141
(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)-2-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136715249
(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136902560
(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
(4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136668065
(4R)-2-(3-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136824894
2-(4-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4976973

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 135682715) is (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole is Brc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1.
What is the InChIKey of (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is GHQDMNNDNUCUPQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H16BrN3/c23-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)25-22-24-18-8-4-5-9-20(18)26(21)22/h1-14,21H,(H,24,25)/t21-/m0/s1.
What are the key properties of (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 402.30 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 (4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 135682715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).