2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

C23H21BrN2 — CID 17001144

IUPAC2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C23H21BrN2/c1-15-12-16(2)20(17(3)13-15)14-26-22-7-5-4-6-21(22)25-23(26)18-8-10-19(24)11-9-18/h4-13H,14H2,1-3H3
InChIKeyPJDAQQKVEYXMJP-UHFFFAOYSA-N
MW405.34 g/mol
LogP6.44
Rot. Bonds3

About 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (PubChem CID 17001144) has the molecular formula C23H21BrN2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
PubChem CID17001144
Molecular FormulaC23H21BrN2
Molecular Weight405.34 g/mol
Exact Mass404.09
IUPAC Name2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C23H21BrN2/c1-15-12-16(2)20(17(3)13-15)14-26-22-7-5-4-6-21(22)25-23(26)18-8-10-19(24)11-9-18/h4-13H,14H2,1-3H3
InChIKeyPJDAQQKVEYXMJP-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142
2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 17001152
2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 20930570
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18811353
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134
CID 10763839
CID 10763839
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 4202224

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (CID 17001144) is 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is Cc1cc(C)c(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The InChIKey is PJDAQQKVEYXMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2/c1-15-12-16(2)20(17(3)13-15)14-26-22-7-5-4-6-21(22)25-23(26)18-8-10-19(24)11-9-18/h4-13H,14H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole has a molecular weight of 405.34 g/mol, XLogP of 6.44, 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-[(2,4,6-trimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 17001144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).