2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole

C15H15ClN2O — CID 115552693

IUPAC2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCCl)n(Cc3ccco3)c12
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-6-13-15(11)18(14(17-13)7-8-16)10-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3
InChIKeyWLOMGNCRFKJKKL-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole

2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole (PubChem CID 115552693) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole
PubChem CID115552693
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCCl)n(Cc3ccco3)c12
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-6-13-15(11)18(14(17-13)7-8-16)10-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3
InChIKeyWLOMGNCRFKJKKL-UHFFFAOYSA-N
XLogP3.77
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552681
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
CID 43666319
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
2-(2-chloroethyl)-7-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 115553484
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-7-methylbenzimidazole
CID 115553408
2-(2-chloroethyl)-1-(2-imidazol-1-ylethyl)-7-methylbenzimidazole
CID 115553110
2-(2-chloroethyl)-7-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 115553530
3-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 115552736
2-(2-chloroethyl)-5-fluoro-1-[2-(furan-2-yl)ethyl]-6-methylbenzimidazole
CID 103593513
2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N-methylacetamide
CID 115552973
2-(2-chloroethyl)-1-(3-ethylsulfanylpropyl)-7-methylbenzimidazole
CID 114248532

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole (CID 115552693) is 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole is Cc1cccc2nc(CCCl)n(Cc3ccco3)c12.
What is the InChIKey of 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole?
The InChIKey is WLOMGNCRFKJKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-4-2-6-13-15(11)18(14(17-13)7-8-16)10-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole?
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole has a molecular weight of 274.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole is sourced from PubChem (CID 115552693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).