2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole

C15H12ClFN2 — CID 43666914

IUPAC2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
SMILESFc1ccccc1-n1c(CCCl)nc2ccccc21
InChIInChI=1S/C15H12ClFN2/c16-10-9-15-18-12-6-2-4-8-14(12)19(15)13-7-3-1-5-11(13)17/h1-8H,9-10H2
InChIKeyGKAHFJUYUORFGO-UHFFFAOYSA-N
MW274.73 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole

2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole (PubChem CID 43666914) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
PubChem CID43666914
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
SMILESFc1ccccc1-n1c(CCCl)nc2ccccc21
InChIInChI=1S/C15H12ClFN2/c16-10-9-15-18-12-6-2-4-8-14(12)19(15)13-7-3-1-5-11(13)17/h1-8H,9-10H2
InChIKeyGKAHFJUYUORFGO-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 53.95
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-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719292
2-(2-chloroethyl)-1-(2,3-difluorophenyl)-4-fluorobenzimidazole
CID 61075587
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-4-fluorobenzimidazole
CID 63544886
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole (CID 43666914) is 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole is Fc1ccccc1-n1c(CCCl)nc2ccccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole?
The InChIKey is GKAHFJUYUORFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-10-9-15-18-12-6-2-4-8-14(12)19(15)13-7-3-1-5-11(13)17/h1-8H,9-10H2.
What are the key properties of 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole?
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole has a molecular weight of 274.73 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole is sourced from PubChem (CID 43666914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).