2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole

C16H13Cl2FN2 — CID 63545395

IUPAC2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(CCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H13Cl2FN2/c17-10-16-20-14-6-5-13(19)9-15(14)21(16)8-7-11-1-3-12(18)4-2-11/h1-6,9H,7-8,10H2
InChIKeyHXSBUEXRHCCADJ-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.81
Rot. Bonds4

About 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole

2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole (PubChem CID 63545395) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole
PubChem CID63545395
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(CCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H13Cl2FN2/c17-10-16-20-14-6-5-13(19)9-15(14)21(16)8-7-11-1-3-12(18)4-2-11/h1-6,9H,7-8,10H2
InChIKeyHXSBUEXRHCCADJ-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.81
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-propylbenzimidazole
CID 62378241
5-chloro-2-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]benzimidazole
CID 43659788
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
2-(chloromethyl)-6-fluoro-1-(2-methylsulfonylethyl)benzimidazole
CID 62377036
2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
CID 64596575
2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
CID 43666246
2-(chloromethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62375839
4-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326625
2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366
N-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 62376522
2-(chloromethyl)-6-fluoro-1-(3-methylsulfinylbutyl)benzimidazole
CID 113490678
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole (CID 63545395) is 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole is Fc1ccc2nc(CCl)n(CCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole?
The InChIKey is HXSBUEXRHCCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c17-10-16-20-14-6-5-13(19)9-15(14)21(16)8-7-11-1-3-12(18)4-2-11/h1-6,9H,7-8,10H2.
What are the key properties of 2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole?
2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole has a molecular weight of 323.20 g/mol, XLogP of 4.81, 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-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole is sourced from PubChem (CID 63545395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).