2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole

C21H17BrN2 — CID 4202224

IUPAC2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C21H17BrN2/c1-15-7-2-3-8-17(15)14-24-20-12-5-4-11-19(20)23-21(24)16-9-6-10-18(22)13-16/h2-13H,14H2,1H3
InChIKeyXMYLKGFUHDIAIN-UHFFFAOYSA-N
MW377.29 g/mol
LogP5.82
Rot. Bonds3

About 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole

2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 4202224) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
PubChem CID4202224
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C21H17BrN2/c1-15-7-2-3-8-17(15)14-24-20-12-5-4-11-19(20)23-21(24)16-9-6-10-18(22)13-16/h2-13H,14H2,1H3
InChIKeyXMYLKGFUHDIAIN-UHFFFAOYSA-N
XLogP5.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
1-Benzyl-2-phenylbenzimidazole
CID 1221687
1-Benzyl-2-methylbenzimidazole
CID 759305
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
2-(3-Bromophenyl)benzimidazole
CID 278822
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-((2,6-difluorophenyl)methyl)-
CID 468847
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole
CID 468848
4-Bromo-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
CID 492665
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-ethylbenzimidazole
CID 492674
1-(4-Methylbenzyl)-2-(4-methylphenyl)-1h-benzimidazole
CID 15552557

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole (CID 4202224) is 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole is Cc1ccccc1Cn1c(-c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is XMYLKGFUHDIAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c1-15-7-2-3-8-17(15)14-24-20-12-5-4-11-19(20)23-21(24)16-9-6-10-18(22)13-16/h2-13H,14H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole?
2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 377.29 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 4202224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).