1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride

C19H24ClN3O3 — CID 24746841

IUPAC1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
SMILESCCn1c(NCc2cc(OC)c(OC)c(OC)c2)nc2ccccc21.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-5-22-15-9-7-6-8-14(15)21-19(22)20-12-13-10-16(23-2)18(25-4)17(11-13)24-3;/h6-11H,5,12H2,1-4H3,(H,20,21);1H
InChIKeyOQHDGSWSNRWUAX-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.12
Rot. Bonds7

About 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride

1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride (PubChem CID 24746841) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
PubChem CID24746841
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
SMILESCCn1c(NCc2cc(OC)c(OC)c(OC)c2)nc2ccccc21.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-5-22-15-9-7-6-8-14(15)21-19(22)20-12-13-10-16(23-2)18(25-4)17(11-13)24-3;/h6-11H,5,12H2,1-4H3,(H,20,21);1H
InChIKeyOQHDGSWSNRWUAX-UHFFFAOYSA-N
XLogP4.12
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;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-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride?
The IUPAC name of 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride (CID 24746841) is 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride?
The canonical SMILES for 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride is CCn1c(NCc2cc(OC)c(OC)c(OC)c2)nc2ccccc21.Cl.
What is the InChIKey of 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride?
The InChIKey is OQHDGSWSNRWUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-5-22-15-9-7-6-8-14(15)21-19(22)20-12-13-10-16(23-2)18(25-4)17(11-13)24-3;/h6-11H,5,12H2,1-4H3,(H,20,21);1H.
What are the key properties of 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride?
1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 24746841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).