2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole

C15H13BrN2 — CID 107983005

IUPAC2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc(-c2nc3c(C)cccc3[nH]2)c1Br
InChIInChI=1S/C15H13BrN2/c1-9-5-3-7-11(13(9)16)15-17-12-8-4-6-10(2)14(12)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyQEQGMRVURWYDBU-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.61
Rot. Bonds1

About 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole

2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole (PubChem CID 107983005) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
PubChem CID107983005
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc(-c2nc3c(C)cccc3[nH]2)c1Br
InChIInChI=1S/C15H13BrN2/c1-9-5-3-7-11(13(9)16)15-17-12-8-4-6-10(2)14(12)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyQEQGMRVURWYDBU-UHFFFAOYSA-N
XLogP4.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine
CID 107982658
5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline
CID 104615378
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292
2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
CID 60646509
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine
CID 70123038
4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole
CID 60646555
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole (CID 107983005) is 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole is Cc1cccc(-c2nc3c(C)cccc3[nH]2)c1Br.
What is the InChIKey of 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole?
The InChIKey is QEQGMRVURWYDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-9-5-3-7-11(13(9)16)15-17-12-8-4-6-10(2)14(12)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole?
2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole has a molecular weight of 301.19 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 107983005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).