6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole

C16H19BrClFN2 — CID 116739029

IUPAC6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
SMILESCC(C1CCCCC1)n1c(CCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C16H19BrClFN2/c1-10(11-5-3-2-4-6-11)21-15-7-12(17)13(19)8-14(15)20-16(21)9-18/h7-8,10-11H,2-6,9H2,1H3
InChIKeyDAAAPNGETWKWBG-UHFFFAOYSA-N
MW373.70 g/mol
LogP5.82
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole

6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole (PubChem CID 116739029) has the molecular formula C16H19BrClFN2 and a molecular weight of 373.70 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
PubChem CID116739029
Molecular FormulaC16H19BrClFN2
Molecular Weight373.70 g/mol
Exact Mass372.04
IUPAC Name6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
SMILESCC(C1CCCCC1)n1c(CCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C16H19BrClFN2/c1-10(11-5-3-2-4-6-11)21-15-7-12(17)13(19)8-14(15)20-16(21)9-18/h7-8,10-11H,2-6,9H2,1H3
InChIKeyDAAAPNGETWKWBG-UHFFFAOYSA-N
XLogP5.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole
CID 63597568
5-bromo-2-(1-chloroethyl)-1-(1-cyclopentylethyl)-6-fluorobenzimidazole
CID 66087724
6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole
CID 116738768
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
2-(2-chloroethyl)-1-(1-cyclopentylethyl)-6-fluoro-5-iodobenzimidazole
CID 66093036
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
CID 66088892
6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole
CID 116738831
6-bromo-2-(2-chloroethyl)-1-(1-cyclopropylbutan-2-yl)-5-fluorobenzimidazole
CID 116739125
6-bromo-2-(chloromethyl)-5-fluoro-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 116738903

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole (CID 116739029) is 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole is CC(C1CCCCC1)n1c(CCl)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole?
The InChIKey is DAAAPNGETWKWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClFN2/c1-10(11-5-3-2-4-6-11)21-15-7-12(17)13(19)8-14(15)20-16(21)9-18/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole?
6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole has a molecular weight of 373.70 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole is sourced from PubChem (CID 116739029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).