4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C22H22N6O2 — CID 55789732

IUPAC4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H22N6O2/c1-16(17-3-7-19(8-4-17)28-15-23-14-25-28)26-22(29)18-5-9-20(10-6-18)30-13-21-24-11-12-27(21)2/h3-12,14-16H,13H2,1-2H3,(H,26,29)
InChIKeyLIWBTRRGEPAQQO-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.07
Rot. Bonds7

About 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 55789732) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
PubChem CID55789732
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H22N6O2/c1-16(17-3-7-19(8-4-17)28-15-23-14-25-28)26-22(29)18-5-9-20(10-6-18)30-13-21-24-11-12-27(21)2/h3-12,14-16H,13H2,1-2H3,(H,26,29)
InChIKeyLIWBTRRGEPAQQO-UHFFFAOYSA-N
XLogP3.07
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]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 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 55789732) is 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is CC(NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The InChIKey is LIWBTRRGEPAQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-16(17-3-7-19(8-4-17)28-15-23-14-25-28)26-22(29)18-5-9-20(10-6-18)30-13-21-24-11-12-27(21)2/h3-12,14-16H,13H2,1-2H3,(H,26,29).
What are the key properties of 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide has a molecular weight of 402.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 55789732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).