5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole

C14H17BrClFN2 — CID 106330234

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole
SMILESCCC(C)(CC)n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H17BrClFN2/c1-4-14(3,5-2)19-12-7-10(17)9(15)6-11(12)18-13(19)8-16/h6-7H,4-5,8H2,1-3H3
InChIKeyZZBYUXSCUAMYJZ-UHFFFAOYSA-N
MW347.66 g/mol
LogP5.21
Rot. Bonds4

About 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole

5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole (PubChem CID 106330234) has the molecular formula C14H17BrClFN2 and a molecular weight of 347.66 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole
PubChem CID106330234
Molecular FormulaC14H17BrClFN2
Molecular Weight347.66 g/mol
Exact Mass346.02
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole
SMILESCCC(C)(CC)n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H17BrClFN2/c1-4-14(3,5-2)19-12-7-10(17)9(15)6-11(12)18-13(19)8-16/h6-7H,4-5,8H2,1-3H3
InChIKeyZZBYUXSCUAMYJZ-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.66
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole 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

5-bromo-2-(chloromethyl)-1-(3-ethylpentan-3-yl)-6-fluorobenzimidazole
CID 66088103
6-chloro-2-(chloromethyl)-5-fluoro-1-(3-methylpentan-3-yl)benzimidazole
CID 106330381
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
5-chloro-2-(chloromethyl)-1-(3-methylpentan-3-yl)benzimidazole
CID 114174442
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole
CID 114174450
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
2-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-tert-butylacetamide
CID 115357105
5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 66087515
3-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 66087104
5-bromo-2-(chloromethyl)-1-(1,3-dimethylpyrazol-4-yl)-6-fluorobenzimidazole
CID 102806455
5-bromo-2-(chloromethyl)-1-(3-ethylphenyl)-6-fluorobenzimidazole
CID 66088111

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole (CID 106330234) is 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole is CCC(C)(CC)n1c(CCl)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole?
The InChIKey is ZZBYUXSCUAMYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFN2/c1-4-14(3,5-2)19-12-7-10(17)9(15)6-11(12)18-13(19)8-16/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole has a molecular weight of 347.66 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole is sourced from PubChem (CID 106330234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).