5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)

C55H58ClF12N9O6 — CID 160770800

IUPAC5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
SMILESC[C@@H]1CC(c2ccc(NC(=O)c3ncc(Cl)[nH]3)c(C3=CCCCC3)c2)C[C@H](C)N1.C[C@H]1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)C[C@H](C)N1.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H29N5O.C23H29ClN4O.2C4F6O2/c1-15-10-19(11-16(2)27-15)18-8-9-22(21(12-18)17-6-4-3-5-7-17)29-24(30)23-26-14-20(13-25)28-23;1-14-10-18(11-15(2)26-14)17-8-9-20(19(12-17)16-6-4-3-5-7-16)27-23(29)22-25-13-21(24)28-22;2*5-3(6,7)1(11)2(12)4(8,9)10/h6,8-9,12,14-16,19,27H,3-5,7,10-11H2,1-2H3,(H,26,28)(H,29,30);6,8-9,12-15,18,26H,3-5,7,10-11H2,1-2H3,(H,25,28)(H,27,29);;/t15-,16-;14-,15+,18?;;/m0.../s1
InChIKeyRZHCNZKXWABTAO-WCUNAALQSA-N
MW1204.55 g/mol
LogP12.75
Rot. Bonds10

About 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)

5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) (PubChem CID 160770800) has the molecular formula C55H58ClF12N9O6 and a molecular weight of 1204.55 g/mol. Its IUPAC name is 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione).

Molecular Properties

Compound Name5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
PubChem CID160770800
Molecular FormulaC55H58ClF12N9O6
Molecular Weight1204.55 g/mol
Exact Mass1203.40
IUPAC Name5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
SMILESC[C@@H]1CC(c2ccc(NC(=O)c3ncc(Cl)[nH]3)c(C3=CCCCC3)c2)C[C@H](C)N1.C[C@H]1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)C[C@H](C)N1.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H29N5O.C23H29ClN4O.2C4F6O2/c1-15-10-19(11-16(2)27-15)18-8-9-22(21(12-18)17-6-4-3-5-7-17)29-24(30)23-26-14-20(13-25)28-23;1-14-10-18(11-15(2)26-14)17-8-9-20(19(12-17)16-6-4-3-5-7-16)27-23(29)22-25-13-21(24)28-22;2*5-3(6,7)1(11)2(12)4(8,9)10/h6,8-9,12,14-16,19,27H,3-5,7,10-11H2,1-2H3,(H,26,28)(H,29,30);6,8-9,12-15,18,26H,3-5,7,10-11H2,1-2H3,(H,25,28)(H,27,29);;/t15-,16-;14-,15+,18?;;/m0.../s1
InChIKeyRZHCNZKXWABTAO-WCUNAALQSA-N
XLogP12.75
TPSA231.69 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001204.55
LogP ≤ 512.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) with MolForge

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Related Compounds

4-Cyano-1H-imidazole-2-carboxylic acid[2-(4-methyl-cyclohex-1-enyl)-4-(1-pyridin-2-ylmethyl-piperidin-4-yl)-phenyl]-amide trifluoroacetic acid Salt
CID 11498031
4-Cyano-1H-imidazole-2-carboxylic acid[2-(4-methyl-cyclohex-1-enyl)-4-piperidin-4-yl-phenyl]-amide trifluoroacetic acid Salt
CID 11555178
4-Cyano-1H-imidazole-2-carboxylic acid (2-cyclohex-1-enyl-4-[1-[2-(1-methyl-1H-imidazol-4-yl)-acetyl]-piperidin-4-yl)-phenyl)-amide trifluoroacetic acid salt
CID 11585283
4-Cyano-1H-imidazole-2-carboxylic acid (2-cyclohex-1-enyl-4-[1-(2-1H-imidazol-4-yl-acetyl)-piperidin-4-yl]-phenyl}-amide trifluoroacetic acid salt
CID 11606813
4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclopent-1-enyl-4-[1-(1-methyl-1H-imidazol-2-ylmethyl)-piperidin-4-yl]-phenyl}-amide trifluoroacetic acid salt
CID 11997682
N-[4-(1-acetylpiperidin-4-yl)-2-[1-(2,2,2-trifluoroacetyl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 58694586
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 58694594
5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-[1-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69265533
5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2R,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
CID 158729051
5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 160379562
5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 160379563
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)?
The IUPAC name of 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) (CID 160770800) is 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione).
What is the SMILES notation for 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)?
The canonical SMILES for 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) is C[C@@H]1CC(c2ccc(NC(=O)c3ncc(Cl)[nH]3)c(C3=CCCCC3)c2)C[C@H](C)N1.C[C@H]1CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)C[C@H](C)N1.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)?
The InChIKey is RZHCNZKXWABTAO-WCUNAALQSA-N. The full InChI is InChI=1S/C24H29N5O.C23H29ClN4O.2C4F6O2/c1-15-10-19(11-16(2)27-15)18-8-9-22(21(12-18)17-6-4-3-5-7-17)29-24(30)23-26-14-20(13-25)28-23;1-14-10-18(11-15(2)26-14)17-8-9-20(19(12-17)16-6-4-3-5-7-16)27-23(29)22-25-13-21(24)28-22;2*5-3(6,7)1(11)2(12)4(8,9)10/h6,8-9,12,14-16,19,27H,3-5,7,10-11H2,1-2H3,(H,26,28)(H,29,30);6,8-9,12-15,18,26H,3-5,7,10-11H2,1-2H3,(H,25,28)(H,27,29);;/t15-,16-;14-,15+,18?;;/m0.../s1.
What are the key properties of 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)?
5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) has a molecular weight of 1204.55 g/mol, XLogP of 12.75, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) is sourced from PubChem (CID 160770800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).