1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole

C30H26N2O2 — CID 134953177

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
SMILESCOc1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1OC
InChIInChI=1S/C30H26N2O2/c1-33-26-19-18-22(20-27(26)34-2)21-32-29(24-14-8-4-9-15-24)28(23-12-6-3-7-13-23)31-30(32)25-16-10-5-11-17-25/h3-20H,21H2,1-2H3
InChIKeyNFLFJCWVFBGZHS-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.95
Rot. Bonds7

About 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole

1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole (PubChem CID 134953177) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
PubChem CID134953177
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
SMILESCOc1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1OC
InChIInChI=1S/C30H26N2O2/c1-33-26-19-18-22(20-27(26)34-2)21-32-29(24-14-8-4-9-15-24)28(23-12-6-3-7-13-23)31-30(32)25-16-10-5-11-17-25/h3-20H,21H2,1-2H3
InChIKeyNFLFJCWVFBGZHS-UHFFFAOYSA-N
XLogP6.95
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole (CID 134953177) is 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole is COc1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole?
The InChIKey is NFLFJCWVFBGZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-33-26-19-18-22(20-27(26)34-2)21-32-29(24-14-8-4-9-15-24)28(23-12-6-3-7-13-23)31-30(32)25-16-10-5-11-17-25/h3-20H,21H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole?
1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole has a molecular weight of 446.55 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole is sourced from PubChem (CID 134953177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).