N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide

C19H19N3O3 — CID 5302246

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cc2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-17-8-5-15(11-18(17)25-2)19(23)21-16-6-3-14(4-7-16)12-22-10-9-20-13-22/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeySFXCYQOWQYJZHG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.20
Rot. Bonds6

About N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide

N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 5302246) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide
PubChem CID5302246
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cc2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-17-8-5-15(11-18(17)25-2)19(23)21-16-6-3-14(4-7-16)12-22-10-9-20-13-22/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeySFXCYQOWQYJZHG-UHFFFAOYSA-N
XLogP3.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(imidazol-1-ylmethyl)phenyl]-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-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide (CID 5302246) is N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cc2)cc1OC.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is SFXCYQOWQYJZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-17-8-5-15(11-18(17)25-2)19(23)21-16-6-3-14(4-7-16)12-22-10-9-20-13-22/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide?
N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 5302246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).