2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole

C15H15ClN2O — CID 114041763

IUPAC2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole
SMILESCc1cccc2c1nc(CCl)n2CCc1ccco1
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-6-13-15(11)17-14(10-16)18(13)8-7-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3
InChIKeyWQDWDVGVSBSWKC-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.92
Rot. Bonds4

About 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole

2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole (PubChem CID 114041763) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole
PubChem CID114041763
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole
SMILESCc1cccc2c1nc(CCl)n2CCc1ccco1
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-6-13-15(11)17-14(10-16)18(13)8-7-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3
InChIKeyWQDWDVGVSBSWKC-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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

5-(chloromethyl)-6-[2-(furan-2-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79296895
5-(2-chloroethyl)-6-[2-(furan-2-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79296823
2-(2-chloroethyl)-5-fluoro-1-[2-(furan-2-yl)ethyl]-6-methylbenzimidazole
CID 103593513
6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 115471213
3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288101
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-7-methylbenzimidazole
CID 115552693
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841
2-(chloromethyl)-4-methyl-1-(thian-2-ylmethyl)benzimidazole
CID 114041823
2-(2-chloroethyl)-4-methyl-1-(3-methylsulfinylpropyl)benzimidazole
CID 114041859
2-(2-chloroethyl)-4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 106432078
5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide
CID 106240467
2-(chloromethyl)-1-(3-ethylpentan-3-yl)-4-methylbenzimidazole
CID 114041815

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole (CID 114041763) is 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole is Cc1cccc2c1nc(CCl)n2CCc1ccco1.
What is the InChIKey of 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole?
The InChIKey is WQDWDVGVSBSWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-4-2-6-13-15(11)17-14(10-16)18(13)8-7-12-5-3-9-19-12/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole?
2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole has a molecular weight of 274.75 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[2-(furan-2-yl)ethyl]-4-methylbenzimidazole is sourced from PubChem (CID 114041763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).