2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole

C12H15ClN2O — CID 43660301

IUPAC2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
SMILESCOCCn1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C12H15ClN2O/c1-9-3-4-11-10(7-9)14-12(8-13)15(11)5-6-16-2/h3-4,7H,5-6,8H2,1-2H3
InChIKeyJMKHFSIPTZZOQH-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.73
Rot. Bonds4

About 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole

2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole (PubChem CID 43660301) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
PubChem CID43660301
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
SMILESCOCCn1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C12H15ClN2O/c1-9-3-4-11-10(7-9)14-12(8-13)15(11)5-6-16-2/h3-4,7H,5-6,8H2,1-2H3
InChIKeyJMKHFSIPTZZOQH-UHFFFAOYSA-N
XLogP2.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.73
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-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
N-[2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 55097963
2-(chloromethyl)-5,6-dimethoxy-1-(2-methoxyethyl)benzimidazole
CID 83007863
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
2-(chloromethyl)-5-methyl-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494126
2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79757744

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole (CID 43660301) is 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole is COCCn1c(CCl)nc2cc(C)ccc21.
What is the InChIKey of 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole?
The InChIKey is JMKHFSIPTZZOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9-3-4-11-10(7-9)14-12(8-13)15(11)5-6-16-2/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole?
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole has a molecular weight of 238.72 g/mol, XLogP of 2.73, 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-methoxyethyl)-5-methylbenzimidazole is sourced from PubChem (CID 43660301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).