2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole

C29H32Cl2N2O — CID 68684406

IUPAC2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole
SMILESCCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(CC)(c2ccc(Cl)cc2)N1
InChIInChI=1S/C29H32Cl2N2O/c1-6-29(20-10-15-23(31)16-11-20)26(19-8-13-22(30)14-9-19)32-27(33-29)24-17-12-21(28(3,4)5)18-25(24)34-7-2/h8-18,26H,6-7H2,1-5H3,(H,32,33)
InChIKeyNBMNRBHKVFRKHW-UHFFFAOYSA-N
MW495.49 g/mol
LogP8.09
Rot. Bonds6

About 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole

2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole (PubChem CID 68684406) has the molecular formula C29H32Cl2N2O and a molecular weight of 495.49 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole
PubChem CID68684406
Molecular FormulaC29H32Cl2N2O
Molecular Weight495.49 g/mol
Exact Mass494.19
IUPAC Name2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole
SMILESCCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(CC)(c2ccc(Cl)cc2)N1
InChIInChI=1S/C29H32Cl2N2O/c1-6-29(20-10-15-23(31)16-11-20)26(19-8-13-22(30)14-9-19)32-27(33-29)24-17-12-21(28(3,4)5)18-25(24)34-7-2/h8-18,26H,6-7H2,1-5H3,(H,32,33)
InChIKeyNBMNRBHKVFRKHW-UHFFFAOYSA-N
XLogP8.09
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.49
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-3-ethoxyphenyl]propan-2-ol
CID 58894258
(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-dihydroimidazole-1-carbaldehyde
CID 174981629
3-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-methyl-4H-imidazole
CID 154254571
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
[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone;hydrochloride
CID 11556630
(4S,5R)-4-(4-chlorophenyl)-5-(cyclopentylmethyl)-2-(2,4-diethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 58735084
4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 10151200
4-[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-3-ethoxybenzonitrile
CID 91869338
3-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-diethylimidazol-1-yl]-1-(3-methylsulfonylpropyl)piperazine
CID 91027797
1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 11707473

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole?
The IUPAC name of 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole (CID 68684406) is 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole.
What is the SMILES notation for 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole?
The canonical SMILES for 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole is CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(CC)(c2ccc(Cl)cc2)N1.
What is the InChIKey of 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole?
The InChIKey is NBMNRBHKVFRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N2O/c1-6-29(20-10-15-23(31)16-11-20)26(19-8-13-22(30)14-9-19)32-27(33-29)24-17-12-21(28(3,4)5)18-25(24)34-7-2/h8-18,26H,6-7H2,1-5H3,(H,32,33).
What are the key properties of 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole?
2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole has a molecular weight of 495.49 g/mol, XLogP of 8.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-1,4-dihydroimidazole is sourced from PubChem (CID 68684406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).