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

C16H13Cl2FN2 — CID 62377043

IUPAC2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole
SMILESCC(c1ccccc1Cl)n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C16H13Cl2FN2/c1-10(12-4-2-3-5-13(12)18)21-15-8-11(19)6-7-14(15)20-16(21)9-17/h2-8,10H,9H2,1H3
InChIKeyIMOMBLLQSLOIKX-UHFFFAOYSA-N
MW323.20 g/mol
LogP5.18
Rot. Bonds3

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

2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole (PubChem CID 62377043) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole
PubChem CID62377043
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole
SMILESCC(c1ccccc1Cl)n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C16H13Cl2FN2/c1-10(12-4-2-3-5-13(12)18)21-15-8-11(19)6-7-14(15)20-16(21)9-17/h2-8,10H,9H2,1H3
InChIKeyIMOMBLLQSLOIKX-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.20
LogP ≤ 55.18
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-(1-pyridin-2-ylethyl)benzimidazole
CID 62378078
2-(chloromethyl)-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluorobenzimidazole
CID 62376873
6-chloro-2-(chloromethyl)-1-[1-(2-methylphenyl)ethyl]benzimidazole
CID 115471272
1-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-fluorobenzimidazole
CID 63546319
2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
CID 43660125
2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 62376352
2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
CID 64596575
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
2-(chloromethyl)-6-fluoro-1-(2-phenylpropyl)benzimidazole
CID 104591930
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467
2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 62377554
1-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-fluorobenzimidazole
CID 63546662

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole (CID 62377043) is 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole is CC(c1ccccc1Cl)n1c(CCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole?
The InChIKey is IMOMBLLQSLOIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-10(12-4-2-3-5-13(12)18)21-15-8-11(19)6-7-14(15)20-16(21)9-17/h2-8,10H,9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole?
2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole has a molecular weight of 323.20 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole is sourced from PubChem (CID 62377043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).