2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole

C14H17ClN2O — CID 114106635

IUPAC2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole
SMILESCC1OCCC1Cn1c(CCl)nc2ccccc21
InChIInChI=1S/C14H17ClN2O/c1-10-11(6-7-18-10)9-17-13-5-3-2-4-12(13)16-14(17)8-15/h2-5,10-11H,6-9H2,1H3
InChIKeyURCAKKLYVYHICH-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.20
Rot. Bonds3

About 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole

2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole (PubChem CID 114106635) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole
PubChem CID114106635
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole
SMILESCC1OCCC1Cn1c(CCl)nc2ccccc21
InChIInChI=1S/C14H17ClN2O/c1-10-11(6-7-18-10)9-17-13-5-3-2-4-12(13)16-14(17)8-15/h2-5,10-11H,6-9H2,1H3
InChIKeyURCAKKLYVYHICH-UHFFFAOYSA-N
XLogP3.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.20
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

4-chloro-2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole
CID 114106637
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(chloromethyl)benzimidazole
CID 66409975
2-(2-chloroethyl)-1-(oxan-4-ylmethyl)benzimidazole
CID 63713165
2-(chloromethyl)-1-(2-methyl-2-methylsulfonylpropyl)benzimidazole
CID 79561713
2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine
CID 107419703
2-(1-methylbenzimidazol-2-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115818385
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
CID 116622454
2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 64914844
tert-butyl (2S)-2-[[2-(chloromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97172663

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole (CID 114106635) is 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole is CC1OCCC1Cn1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole?
The InChIKey is URCAKKLYVYHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10-11(6-7-18-10)9-17-13-5-3-2-4-12(13)16-14(17)8-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole?
2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole has a molecular weight of 264.76 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole is sourced from PubChem (CID 114106635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).