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

C15H15ClN2O — CID 43661155

IUPAC2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2C(C)c1ccco1
InChIInChI=1S/C15H15ClN2O/c1-10-5-6-13-12(8-10)17-15(9-16)18(13)11(2)14-4-3-7-19-14/h3-8,11H,9H2,1-2H3
InChIKeyHBJYPJDEQYFWCS-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.29
Rot. Bonds3

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

2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole (PubChem CID 43661155) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
PubChem CID43661155
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2C(C)c1ccco1
InChIInChI=1S/C15H15ClN2O/c1-10-5-6-13-12(8-10)17-15(9-16)18(13)11(2)14-4-3-7-19-14/h3-8,11H,9H2,1-2H3
InChIKeyHBJYPJDEQYFWCS-UHFFFAOYSA-N
XLogP4.29
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole (CID 43661155) is 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCl)n2C(C)c1ccco1.
What is the InChIKey of 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole?
The InChIKey is HBJYPJDEQYFWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-5-6-13-12(8-10)17-15(9-16)18(13)11(2)14-4-3-7-19-14/h3-8,11H,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole?
2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole has a molecular weight of 274.75 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole is sourced from PubChem (CID 43661155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).