2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol

C83H101F9N8O7 — CID 159085934

IUPAC2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol
SMILESCCC1=NCC(=O)N1C1CCC(CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)CC1.CCC1=NCC(=O)N1C1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CCC1=NCC(=O)N1[C@@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CO
InChIInChI=1S/C28H33F3N2O2.2C27H32F3N3O2.CH4O/c1-4-25-32-17-26(34)33(25)24-10-12-27(13-11-24,22-8-6-5-7-9-22)18-35-20(3)21-14-19(2)15-23(16-21)28(29,30)31;2*1-4-24-31-16-25(34)33(24)23-10-11-26(32-15-23,21-8-6-5-7-9-21)17-35-19(3)20-12-18(2)13-22(14-20)27(28,29)30;1-2/h5-9,14-16,20,24H,4,10-13,17-18H2,1-3H3;2*5-9,12-14,19,23,32H,4,10-11,15-17H2,1-3H3;2H,1H3/t20-,24?,27?;19-,23?,26-;19-,23-,26-;/m111./s1
InChIKeyKBLGIILVRRABIE-DNDHNTGOSA-N
MW1493.75 g/mol
LogP17.01
Rot. Bonds21

About 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol

2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol (PubChem CID 159085934) has the molecular formula C83H101F9N8O7 and a molecular weight of 1493.75 g/mol. Its IUPAC name is 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol.

Molecular Properties

Compound Name2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol
PubChem CID159085934
Molecular FormulaC83H101F9N8O7
Molecular Weight1493.75 g/mol
Exact Mass1492.76
IUPAC Name2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol
SMILESCCC1=NCC(=O)N1C1CCC(CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)CC1.CCC1=NCC(=O)N1C1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CCC1=NCC(=O)N1[C@@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CO
InChIInChI=1S/C28H33F3N2O2.2C27H32F3N3O2.CH4O/c1-4-25-32-17-26(34)33(25)24-10-12-27(13-11-24,22-8-6-5-7-9-22)18-35-20(3)21-14-19(2)15-23(16-21)28(29,30)31;2*1-4-24-31-16-25(34)33(24)23-10-11-26(32-15-23,21-8-6-5-7-9-21)17-35-19(3)20-12-18(2)13-22(14-20)27(28,29)30;1-2/h5-9,14-16,20,24H,4,10-13,17-18H2,1-3H3;2*5-9,12-14,19,23,32H,4,10-11,15-17H2,1-3H3;2H,1H3/t20-,24?,27?;19-,23?,26-;19-,23-,26-;/m111./s1
InChIKeyKBLGIILVRRABIE-DNDHNTGOSA-N
XLogP17.01
TPSA169.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001493.75
LogP ≤ 517.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol 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-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one
CID 159085935
4-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-tetrazol-5-one
CID 135446060
2-chloro-N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide
CID 58238855
N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
CID 58238894
N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
CID 71233590
3-amino-4-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one;3-amino-4-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 158681947
ethyl 6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxylate
CID 58701910
2-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-methylacetamide
CID 58238928
4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexane-1-carboxylic acid;3-[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 160957053
4-[6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-3-nitro-1H-1,2,4-triazol-5-one
CID 91414502
4-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-3-(methoxymethyl)-1H-1,2,4-triazol-5-one
CID 11526921
(2S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-nitro-2-phenylpiperidine
CID 59693676

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol?
The IUPAC name of 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol (CID 159085934) is 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol.
What is the SMILES notation for 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol?
The canonical SMILES for 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol is CCC1=NCC(=O)N1C1CCC(CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)CC1.CCC1=NCC(=O)N1C1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CCC1=NCC(=O)N1[C@@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CO.
What is the InChIKey of 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol?
The InChIKey is KBLGIILVRRABIE-DNDHNTGOSA-N. The full InChI is InChI=1S/C28H33F3N2O2.2C27H32F3N3O2.CH4O/c1-4-25-32-17-26(34)33(25)24-10-12-27(13-11-24,22-8-6-5-7-9-22)18-35-20(3)21-14-19(2)15-23(16-21)28(29,30)31;2*1-4-24-31-16-25(34)33(24)23-10-11-26(32-15-23,21-8-6-5-7-9-21)17-35-19(3)20-12-18(2)13-22(14-20)27(28,29)30;1-2/h5-9,14-16,20,24H,4,10-13,17-18H2,1-3H3;2*5-9,12-14,19,23,32H,4,10-11,15-17H2,1-3H3;2H,1H3/t20-,24?,27?;19-,23?,26-;19-,23-,26-;/m111./s1.
What are the key properties of 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol?
2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol has a molecular weight of 1493.75 g/mol, XLogP of 17.01, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexyl]-4H-imidazol-5-one;2-ethyl-1-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one;methanol is sourced from PubChem (CID 159085934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).