N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide

C12H13N3O3 — CID 55027603

IUPACN-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ncc[nH]2)c1OC
InChIInChI=1S/C12H13N3O3/c1-17-9-5-3-4-8(10(9)18-2)11(16)15-12-13-6-7-14-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyMKOQJIXWOUDRDZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.68
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide

N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide (PubChem CID 55027603) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide
PubChem CID55027603
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ncc[nH]2)c1OC
InChIInChI=1S/C12H13N3O3/c1-17-9-5-3-4-8(10(9)18-2)11(16)15-12-13-6-7-14-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyMKOQJIXWOUDRDZ-UHFFFAOYSA-N
XLogP1.68
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 912373
2-ethoxy-N-(1H-imidazol-2-yl)benzamide
CID 60967218
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
5-chloro-N-(1H-imidazol-2-yl)-2-methoxybenzamide
CID 60967782
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
2-[(6,7-dimethoxynaphthalene-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58724408
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2,3-dimethoxy-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioyl]benzamide
CID 3368582
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112630

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide (CID 55027603) is N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ncc[nH]2)c1OC.
What is the InChIKey of N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide?
The InChIKey is MKOQJIXWOUDRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-9-5-3-4-8(10(9)18-2)11(16)15-12-13-6-7-14-12/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide?
N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide has a molecular weight of 247.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 55027603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).