2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole

C21H17BrN2 — CID 17001142

IUPAC2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)c1
InChIInChI=1S/C21H17BrN2/c1-15-5-4-6-16(13-15)14-24-20-8-3-2-7-19(20)23-21(24)17-9-11-18(22)12-10-17/h2-13H,14H2,1H3
InChIKeyJSJIHOQGILCUCS-UHFFFAOYSA-N
MW377.29 g/mol
LogP5.82
Rot. Bonds3

About 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole

2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole (PubChem CID 17001142) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
PubChem CID17001142
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)c1
InChIInChI=1S/C21H17BrN2/c1-15-5-4-6-16(13-15)14-24-20-8-3-2-7-19(20)23-21(24)17-9-11-18(22)12-10-17/h2-13H,14H2,1H3
InChIKeyJSJIHOQGILCUCS-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

2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 17001152
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 17001144
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
CID 129161943
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987368
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole (CID 17001142) is 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole is Cc1cccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole?
The InChIKey is JSJIHOQGILCUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c1-15-5-4-6-16(13-15)14-24-20-8-3-2-7-19(20)23-21(24)17-9-11-18(22)12-10-17/h2-13H,14H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole?
2-(4-bromophenyl)-1-[(3-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-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 17001142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).