1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole

C24H26N4O2 — CID 50967045

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole
SMILESCCOc1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)n[nH]c2C)ccc1OC
InChIInChI=1S/C24H26N4O2/c1-5-30-22-13-19(11-12-21(22)29-4)24-23(18-9-7-6-8-10-18)25-15-28(24)14-20-16(2)26-27-17(20)3/h6-13,15H,5,14H2,1-4H3,(H,26,27)
InChIKeyYXYCAEUQUSWAHQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.01
Rot. Bonds7

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole (PubChem CID 50967045) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole
PubChem CID50967045
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole
SMILESCCOc1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)n[nH]c2C)ccc1OC
InChIInChI=1S/C24H26N4O2/c1-5-30-22-13-19(11-12-21(22)29-4)24-23(18-9-7-6-8-10-18)25-15-28(24)14-20-16(2)26-27-17(20)3/h6-13,15H,5,14H2,1-4H3,(H,26,27)
InChIKeyYXYCAEUQUSWAHQ-UHFFFAOYSA-N
XLogP5.01
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole 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 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole (CID 50967045) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole is CCOc1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)n[nH]c2C)ccc1OC.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole?
The InChIKey is YXYCAEUQUSWAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-5-30-22-13-19(11-12-21(22)29-4)24-23(18-9-7-6-8-10-18)25-15-28(24)14-20-16(2)26-27-17(20)3/h6-13,15H,5,14H2,1-4H3,(H,26,27).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole has a molecular weight of 402.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole is sourced from PubChem (CID 50967045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).