5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane

C53H63N11O3 — CID 143447681

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane
SMILESCC.N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCO)CC3)cc2C2=CCCCC2)[nH]1.N#Cc1cnc(C(=O)Nc2ccc(C3CCN(c4ccccn4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C27H28N6O.C24H29N5O2.C2H6/c28-17-22-18-30-26(31-22)27(34)32-24-10-9-21(16-23(24)20-6-2-1-3-7-20)19-11-14-33(15-12-19)25-8-4-5-13-29-25;25-15-20-16-26-23(27-20)24(31)28-22-7-6-19(14-21(22)18-4-2-1-3-5-18)17-8-10-29(11-9-17)12-13-30;1-2/h4-6,8-10,13,16,18-19H,1-3,7,11-12,14-15H2,(H,30,31)(H,32,34);4,6-7,14,16-17,30H,1-3,5,8-13H2,(H,26,27)(H,28,31);1-2H3
InChIKeyJLOXQNJJVLEBHC-UHFFFAOYSA-N
MW902.16 g/mol
LogP9.96
Rot. Bonds11

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane (PubChem CID 143447681) has the molecular formula C53H63N11O3 and a molecular weight of 902.16 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane
PubChem CID143447681
Molecular FormulaC53H63N11O3
Molecular Weight902.16 g/mol
Exact Mass901.51
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane
SMILESCC.N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCO)CC3)cc2C2=CCCCC2)[nH]1.N#Cc1cnc(C(=O)Nc2ccc(C3CCN(c4ccccn4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C27H28N6O.C24H29N5O2.C2H6/c28-17-22-18-30-26(31-22)27(34)32-24-10-9-21(16-23(24)20-6-2-1-3-7-20)19-11-14-33(15-12-19)25-8-4-5-13-29-25;25-15-20-16-26-23(27-20)24(31)28-22-7-6-19(14-21(22)18-4-2-1-3-5-18)17-8-10-29(11-9-17)12-13-30;1-2/h4-6,8-10,13,16,18-19H,1-3,7,11-12,14-15H2,(H,30,31)(H,32,34);4,6-7,14,16-17,30H,1-3,5,8-13H2,(H,26,27)(H,28,31);1-2H3
InChIKeyJLOXQNJJVLEBHC-UHFFFAOYSA-N
XLogP9.96
TPSA202.74 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.16
LogP ≤ 59.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane with MolForge

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Related Compounds

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-methoxypiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11634981
5-cyano-N-[2-(cyclopenten-1-yl)-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11678443
2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)aniline;2,2,2-trifluoroacetic acid
CID 68500079
5-cyano-N-[2-(cyclohexen-1-yl)-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11997679
N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-(methylamino)-1H-imidazole-2-carboxamide
CID 143568050
N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 59128588
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 89298027
3-[4-[(5-carbamoyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;3-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid
CID 158889547
N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 91929934
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 24875223
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxothian-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 70850156

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane (CID 143447681) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane is CC.N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCO)CC3)cc2C2=CCCCC2)[nH]1.N#Cc1cnc(C(=O)Nc2ccc(C3CCN(c4ccccn4)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane?
The InChIKey is JLOXQNJJVLEBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O.C24H29N5O2.C2H6/c28-17-22-18-30-26(31-22)27(34)32-24-10-9-21(16-23(24)20-6-2-1-3-7-20)19-11-14-33(15-12-19)25-8-4-5-13-29-25;25-15-20-16-26-23(27-20)24(31)28-22-7-6-19(14-21(22)18-4-2-1-3-5-18)17-8-10-29(11-9-17)12-13-30;1-2/h4-6,8-10,13,16,18-19H,1-3,7,11-12,14-15H2,(H,30,31)(H,32,34);4,6-7,14,16-17,30H,1-3,5,8-13H2,(H,26,27)(H,28,31);1-2H3.
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane has a molecular weight of 902.16 g/mol, XLogP of 9.96, 11 rotatable bonds, 5 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-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane is sourced from PubChem (CID 143447681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).