6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole

C15H19BrN2 — CID 64725160

IUPAC6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole
SMILESBrc1ccc2nc(CCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C15H19BrN2/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,17,18)
InChIKeyKOZCKNHBGNZSES-UHFFFAOYSA-N
MW307.23 g/mol
LogP4.84
Rot. Bonds3

About 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole

6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole (PubChem CID 64725160) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole
PubChem CID64725160
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole
SMILESBrc1ccc2nc(CCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C15H19BrN2/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,17,18)
InChIKeyKOZCKNHBGNZSES-UHFFFAOYSA-N
XLogP4.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole (CID 64725160) is 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole is Brc1ccc2nc(CCC3CCCCC3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole?
The InChIKey is KOZCKNHBGNZSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,17,18).
What are the key properties of 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole?
6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole has a molecular weight of 307.23 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-cyclohexylethyl)-1H-benzimidazole is sourced from PubChem (CID 64725160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).