5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole

C16H19BrClFN2 — CID 66088073

IUPAC5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole
SMILESCC1CCC(n2c(C(C)Cl)nc3cc(Br)c(F)cc32)CC1
InChIInChI=1S/C16H19BrClFN2/c1-9-3-5-11(6-4-9)21-15-8-13(19)12(17)7-14(15)20-16(21)10(2)18/h7-11H,3-6H2,1-2H3
InChIKeyZFEIRDSKKYKUEX-UHFFFAOYSA-N
MW373.70 g/mol
LogP5.99
Rot. Bonds2

About 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole

5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole (PubChem CID 66088073) has the molecular formula C16H19BrClFN2 and a molecular weight of 373.70 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole
PubChem CID66088073
Molecular FormulaC16H19BrClFN2
Molecular Weight373.70 g/mol
Exact Mass372.04
IUPAC Name5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole
SMILESCC1CCC(n2c(C(C)Cl)nc3cc(Br)c(F)cc32)CC1
InChIInChI=1S/C16H19BrClFN2/c1-9-3-5-11(6-4-9)21-15-8-13(19)12(17)7-14(15)20-16(21)10(2)18/h7-11H,3-6H2,1-2H3
InChIKeyZFEIRDSKKYKUEX-UHFFFAOYSA-N
XLogP5.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 55.99
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 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole (CID 66088073) is 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole is CC1CCC(n2c(C(C)Cl)nc3cc(Br)c(F)cc32)CC1.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole?
The InChIKey is ZFEIRDSKKYKUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClFN2/c1-9-3-5-11(6-4-9)21-15-8-13(19)12(17)7-14(15)20-16(21)10(2)18/h7-11H,3-6H2,1-2H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole has a molecular weight of 373.70 g/mol, XLogP of 5.99, 2 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)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole is sourced from PubChem (CID 66088073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).