5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole

C15H19Cl2FN2 — CID 66109650

IUPAC5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole
SMILESCC(C)CCCn1c(C(C)Cl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H19Cl2FN2/c1-9(2)5-4-6-20-14-8-12(18)11(17)7-13(14)19-15(20)10(3)16/h7-10H,4-6H2,1-3H3
InChIKeyMJRZHDKJVDODLI-UHFFFAOYSA-N
MW317.24 g/mol
LogP5.56
Rot. Bonds5

About 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole

5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole (PubChem CID 66109650) has the molecular formula C15H19Cl2FN2 and a molecular weight of 317.24 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole
PubChem CID66109650
Molecular FormulaC15H19Cl2FN2
Molecular Weight317.24 g/mol
Exact Mass316.09
IUPAC Name5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole
SMILESCC(C)CCCn1c(C(C)Cl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H19Cl2FN2/c1-9(2)5-4-6-20-14-8-12(18)11(17)7-13(14)19-15(20)10(3)16/h7-10H,4-6H2,1-3H3
InChIKeyMJRZHDKJVDODLI-UHFFFAOYSA-N
XLogP5.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.24
LogP ≤ 55.56
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-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-propoxypropyl)benzimidazole
CID 82941965
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2,3,3-trimethylbutyl)benzimidazole
CID 83142345
2-(1-chloroethyl)-5,6-difluoro-1-(3-methoxypropyl)benzimidazole
CID 112752136
5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole
CID 114101190
5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020574
6-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)-5-fluorobenzimidazole
CID 114089620
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentan-2-yl)benzimidazole
CID 66111400
5-chloro-2-(chloromethyl)-6-fluoro-1-(3-methylbutyl)benzimidazole
CID 66109616
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
5-[[5-chloro-2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 66112587
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4,4,4-trifluorobutyl)benzimidazole
CID 115521074
3-[2-[6-chloro-2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole (CID 66109650) is 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole is CC(C)CCCn1c(C(C)Cl)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole?
The InChIKey is MJRZHDKJVDODLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2FN2/c1-9(2)5-4-6-20-14-8-12(18)11(17)7-13(14)19-15(20)10(3)16/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole?
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole has a molecular weight of 317.24 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole is sourced from PubChem (CID 66109650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).