N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

C30H41F3N4O2 — CID 58994954

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C3(O)CC(C)(C)N(CC(F)(F)F)C(C)(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C30H41F3N4O2/c1-19-15-34-24(35-19)25(38)36-23-9-8-21(14-22(23)20-10-12-26(2,3)13-11-20)29(39)16-27(4,5)37(18-30(31,32)33)28(6,7)17-29/h8-10,14-15,39H,11-13,16-18H2,1-7H3,(H,34,35)(H,36,38)
InChIKeyITZWCHPBBVOEQE-UHFFFAOYSA-N
MW546.68 g/mol
LogP6.97
Rot. Bonds5

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 58994954) has the molecular formula C30H41F3N4O2 and a molecular weight of 546.68 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID58994954
Molecular FormulaC30H41F3N4O2
Molecular Weight546.68 g/mol
Exact Mass546.32
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C3(O)CC(C)(C)N(CC(F)(F)F)C(C)(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C30H41F3N4O2/c1-19-15-34-24(35-19)25(38)36-23-9-8-21(14-22(23)20-10-12-26(2,3)13-11-20)29(39)16-27(4,5)37(18-30(31,32)33)28(6,7)17-29/h8-10,14-15,39H,11-13,16-18H2,1-7H3,(H,34,35)(H,36,38)
InChIKeyITZWCHPBBVOEQE-UHFFFAOYSA-N
XLogP6.97
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 58994954) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C3(O)CC(C)(C)N(CC(F)(F)F)C(C)(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is ITZWCHPBBVOEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F3N4O2/c1-19-15-34-24(35-19)25(38)36-23-9-8-21(14-22(23)20-10-12-26(2,3)13-11-20)29(39)16-27(4,5)37(18-30(31,32)33)28(6,7)17-29/h8-10,14-15,39H,11-13,16-18H2,1-7H3,(H,34,35)(H,36,38).
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 546.68 g/mol, XLogP of 6.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 58994954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).