5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole

C17H22BrClN2 — CID 63545226

IUPAC5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
SMILESCCC1CCCCC1n1c(C(C)Cl)nc2cc(Br)ccc21
InChIInChI=1S/C17H22BrClN2/c1-3-12-6-4-5-7-15(12)21-16-9-8-13(18)10-14(16)20-17(21)11(2)19/h8-12,15H,3-7H2,1-2H3
InChIKeyUJKYSRIOPWASID-UHFFFAOYSA-N
MW369.73 g/mol
LogP6.24
Rot. Bonds3

About 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole

5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole (PubChem CID 63545226) has the molecular formula C17H22BrClN2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
PubChem CID63545226
Molecular FormulaC17H22BrClN2
Molecular Weight369.73 g/mol
Exact Mass368.07
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
SMILESCCC1CCCCC1n1c(C(C)Cl)nc2cc(Br)ccc21
InChIInChI=1S/C17H22BrClN2/c1-3-12-6-4-5-7-15(12)21-16-9-8-13(18)10-14(16)20-17(21)11(2)19/h8-12,15H,3-7H2,1-2H3
InChIKeyUJKYSRIOPWASID-UHFFFAOYSA-N
XLogP6.24
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 ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 63545324
1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497929
2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294446
5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211
5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 63544857
6-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 65347461
2-(1-chloroethyl)-5-iodo-1-(2-methylcycloheptyl)benzimidazole
CID 66082667
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
6-bromo-2-(1-chloroethyl)-3-(2-ethylcyclopropyl)imidazo[4,5-b]pyridine
CID 114109176
5-bromo-2-(1-chloroethyl)-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazole
CID 60856894
1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 54920296
[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol
CID 106364825

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole (CID 63545226) is 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole is CCC1CCCCC1n1c(C(C)Cl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole?
The InChIKey is UJKYSRIOPWASID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrClN2/c1-3-12-6-4-5-7-15(12)21-16-9-8-13(18)10-14(16)20-17(21)11(2)19/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole has a molecular weight of 369.73 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole is sourced from PubChem (CID 63545226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).