2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole

C12H15ClN2 — CID 43666424

IUPAC2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
SMILESCCn1c(CCCl)nc2cc(C)ccc21
InChIInChI=1S/C12H15ClN2/c1-3-15-11-5-4-9(2)8-10(11)14-12(15)6-7-13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyWZNBMILVBHTHIN-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.15
Rot. Bonds3

About 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole

2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole (PubChem CID 43666424) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
PubChem CID43666424
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
SMILESCCn1c(CCCl)nc2cc(C)ccc21
InChIInChI=1S/C12H15ClN2/c1-3-15-11-5-4-9(2)8-10(11)14-12(15)6-7-13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyWZNBMILVBHTHIN-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
2-(2-chloroethyl)-1-(3-ethylsulfanylpropyl)-5-methylbenzimidazole
CID 114248558
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
CID 113463978
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
CID 65284176
2-(2-chloroethyl)-5-methyl-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 62847056
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
CID 43666319
2-(2-chloroethyl)-5-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazole
CID 103008671
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole (CID 43666424) is 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole is CCn1c(CCCl)nc2cc(C)ccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole?
The InChIKey is WZNBMILVBHTHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-15-11-5-4-9(2)8-10(11)14-12(15)6-7-13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole?
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole has a molecular weight of 222.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole is sourced from PubChem (CID 43666424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).