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

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Related Compounds

CID 118009787
CID 118009787
CID 10294883
CID 10294883
CID 91801232
CID 91801232
CID 9952136
CID 9952136
CID 24905292
CID 24905292
CID 118009815
CID 118009815
CID 118009828
CID 118009828
CID 118009829
CID 118009829
CID 118009835
CID 118009835
CID 118114040
CID 118114040
CID 41673734
CID 41673734
CID 5861418
CID 5861418

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).