2-(chloromethyl)-6-fluoro-1-propylbenzimidazole

C11H12ClFN2 — CID 62378241

IUPAC2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
SMILESCCCn1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C11H12ClFN2/c1-2-5-15-10-6-8(13)3-4-9(10)14-11(15)7-12/h3-4,6H,2,5,7H2,1H3
InChIKeyCHNMRJRWDQWNLS-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.32
Rot. Bonds3

About 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole

2-(chloromethyl)-6-fluoro-1-propylbenzimidazole (PubChem CID 62378241) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
PubChem CID62378241
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
SMILESCCCn1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C11H12ClFN2/c1-2-5-15-10-6-8(13)3-4-9(10)14-11(15)7-12/h3-4,6H,2,5,7H2,1H3
InChIKeyCHNMRJRWDQWNLS-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.32
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

2-(chloromethyl)-6-fluoro-1-(2-methylsulfonylethyl)benzimidazole
CID 62377036
2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
CID 64596575
2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole
CID 63545395
N-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 62376522
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
CID 64611043
2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 79258311
2-(chloromethyl)-6-fluoro-1-(3-methylsulfinylbutyl)benzimidazole
CID 113490678
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18734035
ethyl 4-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]butanoate
CID 64577778
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
2-(chloromethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62375839

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole (CID 62378241) is 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole is CCCn1c(CCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole?
The InChIKey is CHNMRJRWDQWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-2-5-15-10-6-8(13)3-4-9(10)14-11(15)7-12/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole?
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole has a molecular weight of 226.68 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-1-propylbenzimidazole is sourced from PubChem (CID 62378241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).