5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole

C14H17BrClFN2O — CID 66088085

IUPAC5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole
SMILESCCC(COC)n1c(CCCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H17BrClFN2O/c1-3-9(8-20-2)19-13-7-11(17)10(15)6-12(13)18-14(19)4-5-16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyQIVYBRMBOXHVPJ-UHFFFAOYSA-N
MW363.66 g/mol
LogP4.32
Rot. Bonds6

About 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole

5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole (PubChem CID 66088085) has the molecular formula C14H17BrClFN2O and a molecular weight of 363.66 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole
PubChem CID66088085
Molecular FormulaC14H17BrClFN2O
Molecular Weight363.66 g/mol
Exact Mass362.02
IUPAC Name5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole
SMILESCCC(COC)n1c(CCCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H17BrClFN2O/c1-3-9(8-20-2)19-13-7-11(17)10(15)6-12(13)18-14(19)4-5-16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyQIVYBRMBOXHVPJ-UHFFFAOYSA-N
XLogP4.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.66
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-chloroethyl)-5-fluoro-1-pentan-3-ylbenzimidazole
CID 116738614
6-bromo-2-(2-chloroethyl)-1-(1-cyclopropylbutan-2-yl)-5-fluorobenzimidazole
CID 116739125
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66085957
6-chloro-2-(chloromethyl)-1-(1-methoxybutan-2-yl)benzimidazole
CID 113316386
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methylcyclohexyl)benzimidazole
CID 66086743
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
6-bromo-5-fluoro-3-(1-methoxybutan-2-yl)-1H-benzimidazole-2-thione
CID 66086483
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 116739157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole (CID 66088085) is 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole is CCC(COC)n1c(CCCl)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole?
The InChIKey is QIVYBRMBOXHVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFN2O/c1-3-9(8-20-2)19-13-7-11(17)10(15)6-12(13)18-14(19)4-5-16/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole?
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole has a molecular weight of 363.66 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole is sourced from PubChem (CID 66088085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).