5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole

C14H12Cl2N2O — CID 43659782

IUPAC5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
SMILESCC(c1ccco1)n1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H12Cl2N2O/c1-9(13-3-2-6-19-13)18-12-5-4-10(16)7-11(12)17-14(18)8-15/h2-7,9H,8H2,1H3
InChIKeyQXQXOVBLOJWVTA-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.63
Rot. Bonds3

About 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole

5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole (PubChem CID 43659782) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
PubChem CID43659782
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
SMILESCC(c1ccco1)n1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H12Cl2N2O/c1-9(13-3-2-6-19-13)18-12-5-4-10(16)7-11(12)17-14(18)8-15/h2-7,9H,8H2,1H3
InChIKeyQXQXOVBLOJWVTA-UHFFFAOYSA-N
XLogP4.63
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
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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Related Compounds

2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
CID 43661155
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 61472347
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66109631
2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
CID 62506379
5-chloro-2-(chloromethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104829067
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66085957
2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine
CID 81136454
5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477689
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
6-chloro-2-(chloromethyl)-1-[1-(2-methylphenyl)ethyl]benzimidazole
CID 115471272
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-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole (CID 43659782) is 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole is CC(c1ccco1)n1c(CCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole?
The InChIKey is QXQXOVBLOJWVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-9(13-3-2-6-19-13)18-12-5-4-10(16)7-11(12)17-14(18)8-15/h2-7,9H,8H2,1H3.
What are the key properties of 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole?
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole has a molecular weight of 295.17 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 43659782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).