2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole

C14H18ClFN2 — CID 64596575

IUPAC2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
SMILESCC(C)C(C)Cn1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C14H18ClFN2/c1-9(2)10(3)8-18-13-6-11(16)4-5-12(13)17-14(18)7-15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyFMHFYJVJPGGSMD-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.21
Rot. Bonds4

About 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole

2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole (PubChem CID 64596575) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
PubChem CID64596575
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
SMILESCC(C)C(C)Cn1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C14H18ClFN2/c1-9(2)10(3)8-18-13-6-11(16)4-5-12(13)17-14(18)7-15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyFMHFYJVJPGGSMD-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole (CID 64596575) is 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole is CC(C)C(C)Cn1c(CCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole?
The InChIKey is FMHFYJVJPGGSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2/c1-9(2)10(3)8-18-13-6-11(16)4-5-12(13)17-14(18)7-15/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole?
2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole has a molecular weight of 268.76 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole is sourced from PubChem (CID 64596575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).