3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide

C21H25N3O3 — CID 4753706

IUPAC3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2CC(C)C)cc1OC
InChIInChI=1S/C21H25N3O3/c1-14(2)13-24-17-8-6-5-7-16(17)23-20(24)12-22-21(25)15-9-10-18(26-3)19(11-15)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,25)
InChIKeyYOOWXVDTSIAIDX-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.64
Rot. Bonds7

About 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide

3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 4753706) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID4753706
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2CC(C)C)cc1OC
InChIInChI=1S/C21H25N3O3/c1-14(2)13-24-17-8-6-5-7-16(17)23-20(24)12-22-21(25)15-9-10-18(26-3)19(11-15)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,25)
InChIKeyYOOWXVDTSIAIDX-UHFFFAOYSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide 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 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide (CID 4753706) is 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nc3ccccc3n2CC(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is YOOWXVDTSIAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(2)13-24-17-8-6-5-7-16(17)23-20(24)12-22-21(25)15-9-10-18(26-3)19(11-15)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,25).
What are the key properties of 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 4753706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).