3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole

C28H30Cl2N2O — CID 154254571

IUPAC3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole
SMILESCCOc1cc(C(C)(C)C)ccc1N1C=NC(C)(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C28H30Cl2N2O/c1-6-33-25-17-21(27(2,3)4)11-16-24(25)32-18-31-28(5,20-9-14-23(30)15-10-20)26(32)19-7-12-22(29)13-8-19/h7-18,26H,6H2,1-5H3
InChIKeyVYNGSRCNLJISSE-UHFFFAOYSA-N
MW481.47 g/mol
LogP8.19
Rot. Bonds5

About 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole

3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole (PubChem CID 154254571) has the molecular formula C28H30Cl2N2O and a molecular weight of 481.47 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole.

Molecular Properties

Compound Name3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole
PubChem CID154254571
Molecular FormulaC28H30Cl2N2O
Molecular Weight481.47 g/mol
Exact Mass480.17
IUPAC Name3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole
SMILESCCOc1cc(C(C)(C)C)ccc1N1C=NC(C)(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C28H30Cl2N2O/c1-6-33-25-17-21(27(2,3)4)11-16-24(25)32-18-31-28(5,20-9-14-23(30)15-10-20)26(32)19-7-12-22(29)13-8-19/h7-18,26H,6H2,1-5H3
InChIKeyVYNGSRCNLJISSE-UHFFFAOYSA-N
XLogP8.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4R,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 58894226
1-[(4R,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole-3-carbonyl]piperidine-4-carboxylic acid
CID 142761305
[4-[(4S,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91553103
5-[4,5-bis(4-chlorophenyl)-5-methyl-3-nitroso-4H-imidazol-2-yl]-2-tert-butyl-4-ethoxybenzenethiol
CID 143475620
2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole
CID 68684406
2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbaldehyde
CID 174981629
(4S,5R)-2-(5-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 70331151
[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 139445339
2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-3-ethoxyphenyl]propan-2-ol
CID 58894258
5-[4,5-bis(4-chlorophenyl)-5-methyl-3-nitroso-4H-imidazol-2-yl]-2-tert-butyl-4-ethoxybenzenethiol;N-methylmethanamine;1-(3-methylsulfanylpropyl)piperazine
CID 143475619
4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-hydroxypropan-2-yl)phenyl]-4,5-dimethylimidazole-1-carbonyl chloride
CID 73408763
[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)imidazolidin-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;hydrochloride
CID 67012490

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole?
The IUPAC name of 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole (CID 154254571) is 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole.
What is the SMILES notation for 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole?
The canonical SMILES for 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole is CCOc1cc(C(C)(C)C)ccc1N1C=NC(C)(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole?
The InChIKey is VYNGSRCNLJISSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N2O/c1-6-33-25-17-21(27(2,3)4)11-16-24(25)32-18-31-28(5,20-9-14-23(30)15-10-20)26(32)19-7-12-22(29)13-8-19/h7-18,26H,6H2,1-5H3.
What are the key properties of 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole?
3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole has a molecular weight of 481.47 g/mol, XLogP of 8.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole is sourced from PubChem (CID 154254571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).