2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole

C21H23BrN2 — CID 67049730

IUPAC2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole
SMILESBrc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C21H23BrN2/c22-18-11-5-4-10-17(18)21-23-19-12-6-7-13-20(19)24(21)15-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2
InChIKeyYBLDYJLZVKHXGH-UHFFFAOYSA-N
MW383.33 g/mol
LogP6.44
Rot. Bonds4

About 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole

2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole (PubChem CID 67049730) has the molecular formula C21H23BrN2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole
PubChem CID67049730
Molecular FormulaC21H23BrN2
Molecular Weight383.33 g/mol
Exact Mass382.10
IUPAC Name2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole
SMILESBrc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C21H23BrN2/c22-18-11-5-4-10-17(18)21-23-19-12-6-7-13-20(19)24(21)15-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2
InChIKeyYBLDYJLZVKHXGH-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole
CID 5238000
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole
CID 18878048
2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879150
2-[4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 25204434
2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol
CID 63112894
2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
CID 3631447
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247
4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 137378369
(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 40841216

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole?
The IUPAC name of 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole (CID 67049730) is 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole is Brc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole?
The InChIKey is YBLDYJLZVKHXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2/c22-18-11-5-4-10-17(18)21-23-19-12-6-7-13-20(19)24(21)15-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2.
What are the key properties of 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole?
2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole has a molecular weight of 383.33 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole is sourced from PubChem (CID 67049730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).