2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole

C15H20ClFN2 — CID 113471894

IUPAC2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole
SMILESCCCC(C)(C)n1c(CCCl)nc2c(F)cccc21
InChIInChI=1S/C15H20ClFN2/c1-4-9-15(2,3)19-12-7-5-6-11(17)14(12)18-13(19)8-10-16/h5-7H,4,8-10H2,1-3H3
InChIKeyUBYBSMZKOQHBCU-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.49
Rot. Bonds5

About 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole

2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole (PubChem CID 113471894) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole
PubChem CID113471894
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole
SMILESCCCC(C)(C)n1c(CCCl)nc2c(F)cccc21
InChIInChI=1S/C15H20ClFN2/c1-4-9-15(2,3)19-12-7-5-6-11(17)14(12)18-13(19)8-10-16/h5-7H,4,8-10H2,1-3H3
InChIKeyUBYBSMZKOQHBCU-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.49
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

4-chloro-2-(2-chloroethyl)-1-(2,4,4-trimethylpentan-2-yl)benzimidazole
CID 104837916
2-(2-chloroethyl)-4-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
CID 55174174
3-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]-3-methylbutanamide
CID 106097646
2-(2-chloroethyl)-4-fluoro-1-(3-fluorophenyl)benzimidazole
CID 60790473
2-(2-chloroethyl)-1-(2,3-difluorophenyl)-4-fluorobenzimidazole
CID 61075587
2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole
CID 60789245
2-(2-chloroethyl)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazole
CID 63295801
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
2-(2-chloroethyl)-1-(2,4-dimethylcyclohexyl)-4-fluorobenzimidazole
CID 63999171
2-(2-chloroethyl)-4-fluoro-1-(2-methylsulfinylethyl)benzimidazole
CID 113480256
2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole
CID 60788862
2-(2-chloroethyl)-4-fluoro-1-(5-methylhexyl)benzimidazole
CID 115326562

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole (CID 113471894) is 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole is CCCC(C)(C)n1c(CCCl)nc2c(F)cccc21.
What is the InChIKey of 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole?
The InChIKey is UBYBSMZKOQHBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c1-4-9-15(2,3)19-12-7-5-6-11(17)14(12)18-13(19)8-10-16/h5-7H,4,8-10H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole?
2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole has a molecular weight of 282.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-fluoro-1-(2-methylpentan-2-yl)benzimidazole is sourced from PubChem (CID 113471894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).