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

C15H14ClFN2O — CID 62376171

IUPAC2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
SMILESCC(c1ccco1)n1c(CCCl)nc2ccc(F)cc21
InChIInChI=1S/C15H14ClFN2O/c1-10(14-3-2-8-20-14)19-13-9-11(17)4-5-12(13)18-15(19)6-7-16/h2-5,8-10H,6-7H2,1H3
InChIKeyBZELVMJPSZBRQK-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.16
Rot. Bonds4

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

2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole (PubChem CID 62376171) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
PubChem CID62376171
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
SMILESCC(c1ccco1)n1c(CCCl)nc2ccc(F)cc21
InChIInChI=1S/C15H14ClFN2O/c1-10(14-3-2-8-20-14)19-13-9-11(17)4-5-12(13)18-15(19)6-7-16/h2-5,8-10H,6-7H2,1H3
InChIKeyBZELVMJPSZBRQK-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole (CID 62376171) is 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole is CC(c1ccco1)n1c(CCCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole?
The InChIKey is BZELVMJPSZBRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10(14-3-2-8-20-14)19-13-9-11(17)4-5-12(13)18-15(19)6-7-16/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole?
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole has a molecular weight of 292.74 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 62376171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).