(4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone

C24H28N2O3 — CID 146431921

IUPAC(4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone
SMILESCOc1ccc(OC)c(-c2nc(C)c(C(=O)c3ccc(C(C)(C)C)cc3)n2C)c1
InChIInChI=1S/C24H28N2O3/c1-15-21(22(27)16-8-10-17(11-9-16)24(2,3)4)26(5)23(25-15)19-14-18(28-6)12-13-20(19)29-7/h8-14H,1-7H3
InChIKeyYZSANEGTKFVKST-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.94
Rot. Bonds5

About (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone

(4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone (PubChem CID 146431921) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone
PubChem CID146431921
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone
SMILESCOc1ccc(OC)c(-c2nc(C)c(C(=O)c3ccc(C(C)(C)C)cc3)n2C)c1
InChIInChI=1S/C24H28N2O3/c1-15-21(22(27)16-8-10-17(11-9-16)24(2,3)4)26(5)23(25-15)19-14-18(28-6)12-13-20(19)29-7/h8-14H,1-7H3
InChIKeyYZSANEGTKFVKST-UHFFFAOYSA-N
XLogP4.94
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone (CID 146431921) is (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone is COc1ccc(OC)c(-c2nc(C)c(C(=O)c3ccc(C(C)(C)C)cc3)n2C)c1.
What is the InChIKey of (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone?
The InChIKey is YZSANEGTKFVKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-15-21(22(27)16-8-10-17(11-9-16)24(2,3)4)26(5)23(25-15)19-14-18(28-6)12-13-20(19)29-7/h8-14H,1-7H3.
What are the key properties of (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone?
(4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone has a molecular weight of 392.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[2-(2,5-dimethoxyphenyl)-3,5-dimethylimidazol-4-yl]methanone is sourced from PubChem (CID 146431921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).