N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

C133H158N18O15 — CID 162167188

About N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (PubChem CID 162167188) has the molecular formula C133H158N18O15 and a molecular weight of 2248.84 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• PubChem CID: 162167188
• Molecular Formula: C133H158N18O15
• Molecular Weight: 2248.84 g/mol
• Exact Mass: 2247.22
• IUPAC Name: N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)N(C)C)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)N(C)C)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(CN4CCOCC4)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(CO)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCOCC3)cc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/C30H38N4O3.C28H34N4O3.C26H30N4O3.C26H31N3O3.C23H25N3O3/c1-4-24-20-31-27(32-24)28(35)33-26-6-5-23(19-25(26)22-7-9-29(2,3)10-8-22)30(11-15-36-16-12-30)21-34-13-17-37-18-14-34;1-6-21-18-29-24(30-21)25(33)31-23-8-7-20(17-22(23)19-9-11-27(2,3)12-10-19)28(26(34)32(4)5)13-15-35-16-14-28;1-4-20-17-27-23(28-20)24(31)29-22-11-10-19(16-21(22)18-8-6-5-7-9-18)26(25(32)30(2)3)12-14-33-15-13-26;1-4-20-16-27-23(28-20)24(31)29-22-6-5-19(26(17-30)11-13-32-14-12-26)15-21(22)18-7-9-25(2,3)10-8-18;1-2-18-15-24-21(25-18)22(27)26-20-9-8-17(23(28)10-12-29-13-11-23)14-19(20)16-6-4-3-5-7-16/h1,5-7,19-20H,8-18,21H2,2-3H3,(H,31,32)(H,33,35);1,7-9,17-18H,10-16H2,2-5H3,(H,29,30)(H,31,33);1,8,10-11,16-17H,5-7,9,12-15H2,2-3H3,(H,27,28)(H,29,31);1,5-7,15-16,30H,8-14,17H2,2-3H3,(H,27,28)(H,29,31);1,6,8-9,14-15,28H,3-5,7,10-13H2,(H,24,25)(H,26,27)
• InChIKey: ZNHDIGNVXPCFSX-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 428.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2248.84
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (CID 162167188) is N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)N(C)C)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)N(C)C)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(CN4CCOCC4)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(CO)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCOCC3)cc2C2=CCCCC2)[nH]1.

What is the InChIKey of N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The InChIKey is ZNHDIGNVXPCFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O3.C28H34N4O3.C26H30N4O3.C26H31N3O3.C23H25N3O3/c1-4-24-20-31-27(32-24)28(35)33-26-6-5-23(19-25(26)22-7-9-29(2,3)10-8-22)30(11-15-36-16-12-30)21-34-13-17-37-18-14-34;1-6-21-18-29-24(30-21)25(33)31-23-8-7-20(17-22(23)19-9-11-27(2,3)12-10-19)28(26(34)32(4)5)13-15-35-16-14-28;1-4-20-17-27-23(28-20)24(31)29-22-11-10-19(16-21(22)18-8-6-5-7-9-18)26(25(32)30(2)3)12-14-33-15-13-26;1-4-20-16-27-23(28-20)24(31)29-22-6-5-19(26(17-30)11-13-32-14-12-26)15-21(22)18-7-9-25(2,3)10-8-18;1-2-18-15-24-21(25-18)22(27)26-20-9-8-17(23(28)10-12-29-13-11-23)14-19(20)16-6-4-3-5-7-16/h1,5-7,19-20H,8-18,21H2,2-3H3,(H,31,32)(H,33,35);1,7-9,17-18H,10-16H2,2-5H3,(H,29,30)(H,31,33);1,8,10-11,16-17H,5-7,9,12-15H2,2-3H3,(H,27,28)(H,29,31);1,5-7,15-16,30H,8-14,17H2,2-3H3,(H,27,28)(H,29,31);1,6,8-9,14-15,28H,3-5,7,10-13H2,(H,24,25)(H,26,27).

What are the key properties of N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide has a molecular weight of 2248.84 g/mol, XLogP of 20.60, 25 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 162167188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).