5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid

C32H35F3N8O7 — CID 161464570

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(CO)CO)CC3)cc2C2=CCCCC2)[nH]1.N#Cc1cnc(C(=O)O)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H31N5O3.C5H3N3O2.C2HF3O2/c26-13-20-14-27-24(28-20)25(33)29-23-7-6-19(12-22(23)18-4-2-1-3-5-18)17-8-10-30(11-9-17)21(15-31)16-32;6-1-3-2-7-4(8-3)5(9)10;3-2(4,5)1(6)7/h4,6-7,12,14,17,21,31-32H,1-3,5,8-11,15-16H2,(H,27,28)(H,29,33);2H,(H,7,8)(H,9,10);(H,6,7)
InChIKeyIIWPWPCKDKZMCQ-UHFFFAOYSA-N
MW700.67 g/mol
LogP3.64
Rot. Bonds8

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 161464570) has the molecular formula C32H35F3N8O7 and a molecular weight of 700.67 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID161464570
Molecular FormulaC32H35F3N8O7
Molecular Weight700.67 g/mol
Exact Mass700.26
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(CO)CO)CC3)cc2C2=CCCCC2)[nH]1.N#Cc1cnc(C(=O)O)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H31N5O3.C5H3N3O2.C2HF3O2/c26-13-20-14-27-24(28-20)25(33)29-23-7-6-19(12-22(23)18-4-2-1-3-5-18)17-8-10-30(11-9-17)21(15-31)16-32;6-1-3-2-7-4(8-3)5(9)10;3-2(4,5)1(6)7/h4,6-7,12,14,17,21,31-32H,1-3,5,8-11,15-16H2,(H,27,28)(H,29,33);2H,(H,7,8)(H,9,10);(H,6,7)
InChIKeyIIWPWPCKDKZMCQ-UHFFFAOYSA-N
XLogP3.64
TPSA252.34 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.67
LogP ≤ 53.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-Cyano-N-(2-Cyclohex-1-En-1-Yl-4-Piperidin-4-Ylphenyl)-1h-Imidazole-2-Carboxamide
CID 11696478
Jnj-28312141
CID 44551653
4-[4-[[(5-Cyano-1H-imidazol-2-yl)carbonyl]amino]-3-(1-cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)-1-piperidinecarboxamide
CID 11576269
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11664409
4-cyano-N-(2-(1-cyclohexen-1-yl)-4-(1-((dimethylamino)acetyl)-4-piperidinyl)phenyl)-1H-imidazole-2-carboxamide
CID 11676971
4-cyano-N-(2-cyclohexenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783102
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24874885
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 58994369
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-1H-imidazole-2-carboxamide
CID 58994593
4-Cyano-1H-imidazole-2-carboxylic acid (2-(4,4-dimethyl-cyclohex-1-enyl)-4-{1-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-1-methyl-ethyl}-phenyl)-amide hydrochloride
CID 72545302
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11497455

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 161464570) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(CO)CO)CC3)cc2C2=CCCCC2)[nH]1.N#Cc1cnc(C(=O)O)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is IIWPWPCKDKZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3.C5H3N3O2.C2HF3O2/c26-13-20-14-27-24(28-20)25(33)29-23-7-6-19(12-22(23)18-4-2-1-3-5-18)17-8-10-30(11-9-17)21(15-31)16-32;6-1-3-2-7-4(8-3)5(9)10;3-2(4,5)1(6)7/h4,6-7,12,14,17,21,31-32H,1-3,5,8-11,15-16H2,(H,27,28)(H,29,33);2H,(H,7,8)(H,9,10);(H,6,7).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 700.67 g/mol, XLogP of 3.64, 8 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-1H-imidazole-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161464570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).