5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one

C20H25N3O3 — CID 6485902

IUPAC5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1ccc(CCNCc2ccc3c(c2)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C20H25N3O3/c1-22-16-7-5-15(11-17(16)23(2)20(22)24)13-21-10-9-14-6-8-18(25-3)19(12-14)26-4/h5-8,11-12,21H,9-10,13H2,1-4H3
InChIKeyHHVYHRAXYIOORV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.23
Rot. Bonds7

About 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 6485902) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID6485902
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1ccc(CCNCc2ccc3c(c2)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C20H25N3O3/c1-22-16-7-5-15(11-17(16)23(2)20(22)24)13-21-10-9-14-6-8-18(25-3)19(12-14)26-4/h5-8,11-12,21H,9-10,13H2,1-4H3
InChIKeyHHVYHRAXYIOORV-UHFFFAOYSA-N
XLogP2.23
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one 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 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one (CID 6485902) is 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one is COc1ccc(CCNCc2ccc3c(c2)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is HHVYHRAXYIOORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22-16-7-5-15(11-17(16)23(2)20(22)24)13-21-10-9-14-6-8-18(25-3)19(12-14)26-4/h5-8,11-12,21H,9-10,13H2,1-4H3.
What are the key properties of 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 6485902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).