2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole

C15H15ClN2O — CID 43666319

IUPAC2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2Cc1ccco1
InChIInChI=1S/C15H15ClN2O/c1-11-4-5-14-13(9-11)17-15(6-7-16)18(14)10-12-3-2-8-19-12/h2-5,8-9H,6-7,10H2,1H3
InChIKeyLEZHTCIGBKHWBU-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole

2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole (PubChem CID 43666319) 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)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
PubChem CID43666319
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2Cc1ccco1
InChIInChI=1S/C15H15ClN2O/c1-11-4-5-14-13(9-11)17-15(6-7-16)18(14)10-12-3-2-8-19-12/h2-5,8-9H,6-7,10H2,1H3
InChIKeyLEZHTCIGBKHWBU-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'}

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Related Compounds

2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole
CID 115552693
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
2-(2-chloroethyl)-5-fluoro-1-[2-(furan-2-yl)ethyl]-6-methylbenzimidazole
CID 103593513
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]-N-methylmethanamine
CID 46310263
2-(2-chloroethyl)-5-methyl-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 62847056
6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 115471213
2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310275
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 60902601
2-(2-chloroethyl)-5-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazole
CID 103008671
3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46310165
2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
CID 113463978

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole (CID 43666319) is 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCl)n2Cc1ccco1.
What is the InChIKey of 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole?
The InChIKey is LEZHTCIGBKHWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-4-5-14-13(9-11)17-15(6-7-16)18(14)10-12-3-2-8-19-12/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole?
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-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)-5-methylbenzimidazole is sourced from PubChem (CID 43666319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).