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

C19H23N3O2 — CID 6471369

IUPAC5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1ccc(CCNCc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H23N3O2/c1-21-17-9-6-15(12-18(17)22(2)19(21)23)13-20-11-10-14-4-7-16(24-3)8-5-14/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyRQAPMALOXFJUBM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.22
Rot. Bonds6

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

5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 6471369) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID6471369
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1ccc(CCNCc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H23N3O2/c1-21-17-9-6-15(12-18(17)22(2)19(21)23)13-20-11-10-14-4-7-16(24-3)8-5-14/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyRQAPMALOXFJUBM-UHFFFAOYSA-N
XLogP2.22
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[2-(4-methoxyphenyl)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-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one (CID 6471369) is 5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one is COc1ccc(CCNCc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is RQAPMALOXFJUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-17-9-6-15(12-18(17)22(2)19(21)23)13-20-11-10-14-4-7-16(24-3)8-5-14/h4-9,12,20H,10-11,13H2,1-3H3.
What are the key properties of 5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 6471369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).