6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide

C23H27F3N4O2 — CID 159791507

IUPAC6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide
SMILESCC(O)(CNC1CCC(NC(=O)c2cc(-n3ccnc3)cc3c2CC=C3)CC1)C(F)(F)F
InChIInChI=1S/C23H27F3N4O2/c1-22(32,23(24,25)26)13-28-16-5-7-17(8-6-16)29-21(31)20-12-18(30-10-9-27-14-30)11-15-3-2-4-19(15)20/h2-3,9-12,14,16-17,28,32H,4-8,13H2,1H3,(H,29,31)
InChIKeyNIPQXWWGWHATAX-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.39
Rot. Bonds6

About 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide

6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide (PubChem CID 159791507) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide
PubChem CID159791507
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide
SMILESCC(O)(CNC1CCC(NC(=O)c2cc(-n3ccnc3)cc3c2CC=C3)CC1)C(F)(F)F
InChIInChI=1S/C23H27F3N4O2/c1-22(32,23(24,25)26)13-28-16-5-7-17(8-6-16)29-21(31)20-12-18(30-10-9-27-14-30)11-15-3-2-4-19(15)20/h2-3,9-12,14,16-17,28,32H,4-8,13H2,1H3,(H,29,31)
InChIKeyNIPQXWWGWHATAX-UHFFFAOYSA-N
XLogP3.39
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide
CID 121391556
5-imidazol-1-yl-N-[4-[(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)amino]cyclohexyl]-1H-indole-7-carboxamide
CID 130405295
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide
CID 130405298
5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide
CID 121379161
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide
CID 156733686
N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 92576982
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976
[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
CID 165388326
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166481353
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
2-imidazol-1-yl-N-[4-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-imidazol-1-yl-N-[4-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158490945
3-[(2S)-2-hydroxypyrrolidin-1-yl]-5-imidazol-1-yl-N-(4-methoxycyclohexyl)benzamide
CID 171566244

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide (CID 159791507) is 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide is CC(O)(CNC1CCC(NC(=O)c2cc(-n3ccnc3)cc3c2CC=C3)CC1)C(F)(F)F.
What is the InChIKey of 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide?
The InChIKey is NIPQXWWGWHATAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-22(32,23(24,25)26)13-28-16-5-7-17(8-6-16)29-21(31)20-12-18(30-10-9-27-14-30)11-15-3-2-4-19(15)20/h2-3,9-12,14,16-17,28,32H,4-8,13H2,1H3,(H,29,31).
What are the key properties of 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide?
6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide is sourced from PubChem (CID 159791507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).