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

C15H13Cl2FN2O — CID 66109631

IUPAC5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
SMILESCC(c1ccco1)n1c(CCCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H13Cl2FN2O/c1-9(14-3-2-6-21-14)20-13-8-11(18)10(17)7-12(13)19-15(20)4-5-16/h2-3,6-9H,4-5H2,1H3
InChIKeyDOKQBTZUOGMEJT-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.81
Rot. Bonds4

About 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole

5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole (PubChem CID 66109631) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
PubChem CID66109631
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
SMILESCC(c1ccco1)n1c(CCCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H13Cl2FN2O/c1-9(14-3-2-6-21-14)20-13-8-11(18)10(17)7-12(13)19-15(20)4-5-16/h2-3,6-9H,4-5H2,1H3
InChIKeyDOKQBTZUOGMEJT-UHFFFAOYSA-N
XLogP4.81
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.81
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

5-bromo-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66085957
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 43659782
2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 66110246
2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
CID 43661155
5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole
CID 66111033
6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79302460
2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
CID 62506379
2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
CID 66112385
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
5-chloro-2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole
CID 66112395
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole (CID 66109631) is 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole is CC(c1ccco1)n1c(CCCl)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole?
The InChIKey is DOKQBTZUOGMEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-9(14-3-2-6-21-14)20-13-8-11(18)10(17)7-12(13)19-15(20)4-5-16/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole?
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole has a molecular weight of 327.19 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 66109631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).