2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole

C15H14ClFN2S — CID 62843511

IUPAC2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole
SMILESCC(c1ccsc1)n1c(CCCl)nc2c(F)cccc21
InChIInChI=1S/C15H14ClFN2S/c1-10(11-6-8-20-9-11)19-13-4-2-3-12(17)15(13)18-14(19)5-7-16/h2-4,6,8-10H,5,7H2,1H3
InChIKeyLRILSICIRQDPJB-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.63
Rot. Bonds4

About 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole

2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole (PubChem CID 62843511) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole
PubChem CID62843511
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC Name2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole
SMILESCC(c1ccsc1)n1c(CCCl)nc2c(F)cccc21
InChIInChI=1S/C15H14ClFN2S/c1-10(11-6-8-20-9-11)19-13-4-2-3-12(17)15(13)18-14(19)5-7-16/h2-4,6,8-10H,5,7H2,1H3
InChIKeyLRILSICIRQDPJB-UHFFFAOYSA-N
XLogP4.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.63
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)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole (CID 62843511) is 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole is CC(c1ccsc1)n1c(CCCl)nc2c(F)cccc21.
What is the InChIKey of 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole?
The InChIKey is LRILSICIRQDPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2S/c1-10(11-6-8-20-9-11)19-13-4-2-3-12(17)15(13)18-14(19)5-7-16/h2-4,6,8-10H,5,7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole?
2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole has a molecular weight of 308.81 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole is sourced from PubChem (CID 62843511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).