2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole

C15H14ClFN2O — CID 62377209

IUPAC2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2ccc(F)cc2n1CCc1ccco1
InChIInChI=1S/C15H14ClFN2O/c1-10(16)15-18-13-5-4-11(17)9-14(13)19(15)7-6-12-3-2-8-20-12/h2-5,8-10H,6-7H2,1H3
InChIKeyVULZAEJTAVGVSY-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.31
Rot. Bonds4

About 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole

2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole (PubChem CID 62377209) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole
PubChem CID62377209
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2ccc(F)cc2n1CCc1ccco1
InChIInChI=1S/C15H14ClFN2O/c1-10(16)15-18-13-5-4-11(17)9-14(13)19(15)7-6-12-3-2-8-20-12/h2-5,8-10H,6-7H2,1H3
InChIKeyVULZAEJTAVGVSY-UHFFFAOYSA-N
XLogP4.31
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
CID 43666310
2-(1-chloroethyl)-6-fluoro-1-[(4-methylphenyl)methyl]benzimidazole
CID 62377194
3-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 106406804
3-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407030
2-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375762
1-[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310271
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
CID 46310200
2-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 62378264
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
5-(1-chloroethyl)-6-[2-(furan-2-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79296969
1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62594347
2-(1-chloroethyl)-6-fluoro-1-(oxolan-2-ylmethyl)benzimidazole
CID 62378406

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole (CID 62377209) is 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole is CC(Cl)c1nc2ccc(F)cc2n1CCc1ccco1.
What is the InChIKey of 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole?
The InChIKey is VULZAEJTAVGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10(16)15-18-13-5-4-11(17)9-14(13)19(15)7-6-12-3-2-8-20-12/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole?
2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole has a molecular weight of 292.74 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 62377209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).