5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone

C144H161N13O7 — CID 158708906

IUPAC5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone
SMILESCC(C)(C)c1cccc(C(=O)Cc2ccc(-n3ccnc3)cc2)c1.CC(C)(C)c1cccc(C(=O)Cc2ccc(Cn3cncn3)cc2)c1.CC(C)(C)c1cccc(C(=O)Cc2ccc3ncccc3c2)c1.CC(C)(C)c1cccc2c1CC(=O)N(C1CCCCC1)C2.Cn1c(-c2ccccc2)cnc1CC(=O)c1cccc(C(C)(C)C)c1.Cn1c(CC(=O)c2cccc(C(C)(C)C)c2)nc2ccccc21.Cn1ncc2ccc(CC(=O)c3cccc(C(C)(C)C)c3)cc21
InChIInChI=1S/C22H24N2O.C21H23N3O.C21H22N2O.C21H21NO.2C20H22N2O.C19H27NO/c1-22(2,3)18-12-8-11-17(13-18)20(25)14-21-23-15-19(24(21)4)16-9-6-5-7-10-16;1-21(2,3)19-6-4-5-18(12-19)20(25)11-16-7-9-17(10-8-16)13-24-15-22-14-23-24;1-21(2,3)18-6-4-5-17(14-18)20(24)13-16-7-9-19(10-8-16)23-12-11-22-15-23;1-21(2,3)18-8-4-6-17(14-18)20(23)13-15-9-10-19-16(12-15)7-5-11-22-19;1-20(2,3)15-9-7-8-14(12-15)18(23)13-19-21-16-10-5-6-11-17(16)22(19)4;1-20(2,3)17-7-5-6-15(12-17)19(23)11-14-8-9-16-13-21-22(4)18(16)10-14;1-19(2,3)17-11-7-8-14-13-20(18(21)12-16(14)17)15-9-5-4-6-10-15/h5-13,15H,14H2,1-4H3;4-10,12,14-15H,11,13H2,1-3H3;4-12,14-15H,13H2,1-3H3;4-12,14H,13H2,1-3H3;5-12H,13H2,1-4H3;5-10,12-13H,11H2,1-4H3;7-8,11,15H,4-6,9-10,12-13H2,1-3H3
InChIKeyIILXDJQFRABCQW-UHFFFAOYSA-N
MW2185.96 g/mol
LogP31.21
Rot. Bonds23

About 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone

5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone (PubChem CID 158708906) has the molecular formula C144H161N13O7 and a molecular weight of 2185.96 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone
PubChem CID158708906
Molecular FormulaC144H161N13O7
Molecular Weight2185.96 g/mol
Exact Mass2184.26
IUPAC Name5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone
SMILESCC(C)(C)c1cccc(C(=O)Cc2ccc(-n3ccnc3)cc2)c1.CC(C)(C)c1cccc(C(=O)Cc2ccc(Cn3cncn3)cc2)c1.CC(C)(C)c1cccc(C(=O)Cc2ccc3ncccc3c2)c1.CC(C)(C)c1cccc2c1CC(=O)N(C1CCCCC1)C2.Cn1c(-c2ccccc2)cnc1CC(=O)c1cccc(C(C)(C)C)c1.Cn1c(CC(=O)c2cccc(C(C)(C)C)c2)nc2ccccc21.Cn1ncc2ccc(CC(=O)c3cccc(C(C)(C)C)c3)cc21
InChIInChI=1S/C22H24N2O.C21H23N3O.C21H22N2O.C21H21NO.2C20H22N2O.C19H27NO/c1-22(2,3)18-12-8-11-17(13-18)20(25)14-21-23-15-19(24(21)4)16-9-6-5-7-10-16;1-21(2,3)19-6-4-5-18(12-19)20(25)11-16-7-9-17(10-8-16)13-24-15-22-14-23-24;1-21(2,3)18-6-4-5-17(14-18)20(24)13-16-7-9-19(10-8-16)23-12-11-22-15-23;1-21(2,3)18-8-4-6-17(14-18)20(23)13-15-9-10-19-16(12-15)7-5-11-22-19;1-20(2,3)15-9-7-8-14(12-15)18(23)13-19-21-16-10-5-6-11-17(16)22(19)4;1-20(2,3)17-7-5-6-15(12-17)19(23)11-14-8-9-16-13-21-22(4)18(16)10-14;1-19(2,3)17-11-7-8-14-13-20(18(21)12-16(14)17)15-9-5-4-6-10-15/h5-13,15H,14H2,1-4H3;4-10,12,14-15H,11,13H2,1-3H3;4-12,14-15H,13H2,1-3H3;4-12,14H,13H2,1-3H3;5-12H,13H2,1-4H3;5-10,12-13H,11H2,1-4H3;7-8,11,15H,4-6,9-10,12-13H2,1-3H3
InChIKeyIILXDJQFRABCQW-UHFFFAOYSA-N
XLogP31.21
TPSA237.61 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002185.96
LogP ≤ 531.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone 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

US20240025884, Example 426
CID 170672791
US20240025884, Example 412
CID 170672873
US20240025884, Example 448
CID 170673292
US20250346592, Example 95
CID 177774121
3-[[2,6-Difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-4-[(4-oxoquinazolin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[2,3-d]pyrimidin-4-one
CID 123609626
3-[[2-Fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3-fluoro-4-[(4-oxoquinazolin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[2,3-d]pyrimidin-4-one
CID 123887124
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
2-cyclopropyl-6-[3-[1-[[2-[5-[3-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazol-1-yl]-1-fluorocyclopentyl]methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-3H-isoindol-1-one
CID 137388703
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 144667648
7-[(2-Methylimidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[(1-propan-2-ylindol-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 153572705
2-[7-(difluoromethyl)-3-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 155427296

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone?
The IUPAC name of 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone (CID 158708906) is 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone?
The canonical SMILES for 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone is CC(C)(C)c1cccc(C(=O)Cc2ccc(-n3ccnc3)cc2)c1.CC(C)(C)c1cccc(C(=O)Cc2ccc(Cn3cncn3)cc2)c1.CC(C)(C)c1cccc(C(=O)Cc2ccc3ncccc3c2)c1.CC(C)(C)c1cccc2c1CC(=O)N(C1CCCCC1)C2.Cn1c(-c2ccccc2)cnc1CC(=O)c1cccc(C(C)(C)C)c1.Cn1c(CC(=O)c2cccc(C(C)(C)C)c2)nc2ccccc21.Cn1ncc2ccc(CC(=O)c3cccc(C(C)(C)C)c3)cc21.
What is the InChIKey of 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone?
The InChIKey is IILXDJQFRABCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O.C21H23N3O.C21H22N2O.C21H21NO.2C20H22N2O.C19H27NO/c1-22(2,3)18-12-8-11-17(13-18)20(25)14-21-23-15-19(24(21)4)16-9-6-5-7-10-16;1-21(2,3)19-6-4-5-18(12-19)20(25)11-16-7-9-17(10-8-16)13-24-15-22-14-23-24;1-21(2,3)18-6-4-5-17(14-18)20(24)13-16-7-9-19(10-8-16)23-12-11-22-15-23;1-21(2,3)18-8-4-6-17(14-18)20(23)13-15-9-10-19-16(12-15)7-5-11-22-19;1-20(2,3)15-9-7-8-14(12-15)18(23)13-19-21-16-10-5-6-11-17(16)22(19)4;1-20(2,3)17-7-5-6-15(12-17)19(23)11-14-8-9-16-13-21-22(4)18(16)10-14;1-19(2,3)17-11-7-8-14-13-20(18(21)12-16(14)17)15-9-5-4-6-10-15/h5-13,15H,14H2,1-4H3;4-10,12,14-15H,11,13H2,1-3H3;4-12,14-15H,13H2,1-3H3;4-12,14H,13H2,1-3H3;5-12H,13H2,1-4H3;5-10,12-13H,11H2,1-4H3;7-8,11,15H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone?
5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone has a molecular weight of 2185.96 g/mol, XLogP of 31.21, 23 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;1-(3-tert-butylphenyl)-2-(4-imidazol-1-ylphenyl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methylindazol-6-yl)ethanone;1-(3-tert-butylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;1-(3-tert-butylphenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 158708906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).