1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride

C13H19ClN2O — CID 18593123

IUPAC1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride
SMILESCCOCCn1cnc2cc(C)c(C)cc21.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-4-16-6-5-15-9-14-12-7-10(2)11(3)8-13(12)15;/h7-9H,4-6H2,1-3H3;1H
InChIKeyFYTBNXZSAGOVFK-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride

1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride (PubChem CID 18593123) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride
PubChem CID18593123
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride
SMILESCCOCCn1cnc2cc(C)c(C)cc21.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-4-16-6-5-15-9-14-12-7-10(2)11(3)8-13(12)15;/h7-9H,4-6H2,1-3H3;1H
InChIKeyFYTBNXZSAGOVFK-UHFFFAOYSA-N
XLogP3.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride?
The IUPAC name of 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride (CID 18593123) is 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride.
What is the SMILES notation for 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride?
The canonical SMILES for 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride is CCOCCn1cnc2cc(C)c(C)cc21.Cl.
What is the InChIKey of 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride?
The InChIKey is FYTBNXZSAGOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-4-16-6-5-15-9-14-12-7-10(2)11(3)8-13(12)15;/h7-9H,4-6H2,1-3H3;1H.
What are the key properties of 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride?
1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride is sourced from PubChem (CID 18593123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).