6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole

C17H22BrClN2 — CID 65344880

IUPAC6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
SMILESCC1CCCC(n2c(CCCl)nc3ccc(Br)cc32)C1C
InChIInChI=1S/C17H22BrClN2/c1-11-4-3-5-15(12(11)2)21-16-10-13(18)6-7-14(16)20-17(21)8-9-19/h6-7,10-12,15H,3-5,8-9H2,1-2H3
InChIKeyTVYOBZTYYHQXHS-UHFFFAOYSA-N
MW369.73 g/mol
LogP5.58
Rot. Bonds3

About 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole

6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole (PubChem CID 65344880) has the molecular formula C17H22BrClN2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
PubChem CID65344880
Molecular FormulaC17H22BrClN2
Molecular Weight369.73 g/mol
Exact Mass368.07
IUPAC Name6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
SMILESCC1CCCC(n2c(CCCl)nc3ccc(Br)cc32)C1C
InChIInChI=1S/C17H22BrClN2/c1-11-4-3-5-15(12(11)2)21-16-10-13(18)6-7-14(16)20-17(21)8-9-19/h6-7,10-12,15H,3-5,8-9H2,1-2H3
InChIKeyTVYOBZTYYHQXHS-UHFFFAOYSA-N
XLogP5.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.73
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole (CID 65344880) is 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole is CC1CCCC(n2c(CCCl)nc3ccc(Br)cc32)C1C.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole?
The InChIKey is TVYOBZTYYHQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrClN2/c1-11-4-3-5-15(12(11)2)21-16-10-13(18)6-7-14(16)20-17(21)8-9-19/h6-7,10-12,15H,3-5,8-9H2,1-2H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole?
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole has a molecular weight of 369.73 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole is sourced from PubChem (CID 65344880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).