2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole

C17H17BrN2 — CID 17001122

IUPAC2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C17H17BrN2/c1-12(2)11-20-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyWWPBZXMLHYSBIV-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.12
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole

2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole (PubChem CID 17001122) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
PubChem CID17001122
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C17H17BrN2/c1-12(2)11-20-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyWWPBZXMLHYSBIV-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134
2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 17001144
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142
2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 17001152
1-(2-methylpropyl)-2-(3-nitrophenyl)benzimidazole
CID 146024319
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 17001175
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole (CID 17001122) is 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(-c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole?
The InChIKey is WWPBZXMLHYSBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c1-12(2)11-20-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole?
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole has a molecular weight of 329.24 g/mol, XLogP of 5.12, 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-methylpropyl)benzimidazole is sourced from PubChem (CID 17001122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).