N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide

C17H17N3O3 — CID 751094

IUPACN-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)17(21)18-10-16-19-12-5-3-4-6-13(12)20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJANQZRWEDYHYJC-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.51
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide

N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide (PubChem CID 751094) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
PubChem CID751094
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)17(21)18-10-16-19-12-5-3-4-6-13(12)20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJANQZRWEDYHYJC-UHFFFAOYSA-N
XLogP2.51
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide 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 N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide (CID 751094) is N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is JANQZRWEDYHYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)17(21)18-10-16-19-12-5-3-4-6-13(12)20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 311.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 751094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).