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

C15H14Cl2N2O — CID 115471213

IUPAC6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
SMILESClCCc1nc2ccc(Cl)cc2n1CCc1ccco1
InChIInChI=1S/C15H14Cl2N2O/c16-7-5-15-18-13-4-3-11(17)10-14(13)19(15)8-6-12-2-1-9-20-12/h1-4,9-10H,5-8H2
InChIKeyNWQZRIKFOIMAGV-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.31
Rot. Bonds5

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

6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole (PubChem CID 115471213) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
PubChem CID115471213
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
SMILESClCCc1nc2ccc(Cl)cc2n1CCc1ccco1
InChIInChI=1S/C15H14Cl2N2O/c16-7-5-15-18-13-4-3-11(17)10-14(13)19(15)8-6-12-2-1-9-20-12/h1-4,9-10H,5-8H2
InChIKeyNWQZRIKFOIMAGV-UHFFFAOYSA-N
XLogP4.31
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
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-(2-chloroethyl)-5-fluoro-1-[2-(furan-2-yl)ethyl]-6-methylbenzimidazole
CID 103593513
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803
6-chloro-2-(2-chloroethyl)-1-(2-imidazol-1-ylethyl)benzimidazole
CID 115471182
6-chloro-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 115471520
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
CID 46310200
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
CID 43666319
6-chloro-2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005408
1-[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310271

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole (CID 115471213) is 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole is ClCCc1nc2ccc(Cl)cc2n1CCc1ccco1.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole?
The InChIKey is NWQZRIKFOIMAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-7-5-15-18-13-4-3-11(17)10-14(13)19(15)8-6-12-2-1-9-20-12/h1-4,9-10H,5-8H2.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole?
6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole has a molecular weight of 309.20 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 115471213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).