N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

C131H150N20O15 — CID 158319913

About N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (PubChem CID 158319913) has the molecular formula C131H150N20O15 and a molecular weight of 2244.77 g/mol. Its IUPAC name is N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• PubChem CID: 158319913
• Molecular Formula: C131H150N20O15
• Molecular Weight: 2244.77 g/mol
• Exact Mass: 2243.16
• IUPAC Name: N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1c[nH]c(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCC(C)(C)CC2)c1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(N)=O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(CN4CCOCC4)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(CO)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(c4nn[nH]n4)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C28H34N4O3.C27H30N2O4.C26H29N7O2.C26H30N4O3.C24H27N3O3/c1-2-23-19-29-26(30-23)27(33)31-25-9-8-22(18-24(25)21-6-4-3-5-7-21)28(10-14-34-15-11-28)20-32-12-16-35-17-13-32;1-4-18-15-23(28-17-18)24(30)29-22-6-5-20(27(25(31)32)11-13-33-14-12-27)16-21(22)19-7-9-26(2,3)10-8-19;1-4-19-16-27-22(28-19)23(34)29-21-6-5-18(15-20(21)17-7-9-25(2,3)10-8-17)26(11-13-35-14-12-26)24-30-32-33-31-24;1-4-19-16-28-22(29-19)23(31)30-21-6-5-18(26(24(27)32)11-13-33-14-12-26)15-20(21)17-7-9-25(2,3)10-8-17;1-2-19-15-25-22(26-19)23(29)27-21-9-8-18(24(16-28)10-12-30-13-11-24)14-20(21)17-6-4-3-5-7-17/h1,6,8-9,18-19H,3-5,7,10-17,20H2,(H,29,30)(H,31,33);1,5-7,15-17,28H,8-14H2,2-3H3,(H,29,30)(H,31,32);1,5-7,15-16H,8-14H2,2-3H3,(H,27,28)(H,29,34)(H,30,31,32,33);1,5-7,15-16H,8-14H2,2-3H3,(H2,27,32)(H,28,29)(H,30,31);1,6,8-9,14-15,28H,3-5,7,10-13,16H2,(H,25,26)(H,27,29)
• InChIKey: GOSIYXBTUIBQKN-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 489.71 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.77
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (CID 158319913) is N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is C#Cc1c[nH]c(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCC(C)(C)CC2)c1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(N)=O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(CN4CCOCC4)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(CO)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(c4nn[nH]n4)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The InChIKey is GOSIYXBTUIBQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3.C27H30N2O4.C26H29N7O2.C26H30N4O3.C24H27N3O3/c1-2-23-19-29-26(30-23)27(33)31-25-9-8-22(18-24(25)21-6-4-3-5-7-21)28(10-14-34-15-11-28)20-32-12-16-35-17-13-32;1-4-18-15-23(28-17-18)24(30)29-22-6-5-20(27(25(31)32)11-13-33-14-12-27)16-21(22)19-7-9-26(2,3)10-8-19;1-4-19-16-27-22(28-19)23(34)29-21-6-5-18(15-20(21)17-7-9-25(2,3)10-8-17)26(11-13-35-14-12-26)24-30-32-33-31-24;1-4-19-16-28-22(29-19)23(31)30-21-6-5-18(26(24(27)32)11-13-33-14-12-26)15-20(21)17-7-9-25(2,3)10-8-17;1-2-19-15-25-22(26-19)23(29)27-21-9-8-18(24(16-28)10-12-30-13-11-24)14-20(21)17-6-4-3-5-7-17/h1,6,8-9,18-19H,3-5,7,10-17,20H2,(H,29,30)(H,31,33);1,5-7,15-17,28H,8-14H2,2-3H3,(H,29,30)(H,31,32);1,5-7,15-16H,8-14H2,2-3H3,(H,27,28)(H,29,34)(H,30,31,32,33);1,5-7,15-16H,8-14H2,2-3H3,(H2,27,32)(H,28,29)(H,30,31);1,6,8-9,14-15,28H,3-5,7,10-13,16H2,(H,25,26)(H,27,29).

What are the key properties of N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?

N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide has a molecular weight of 2244.77 g/mol, XLogP of 20.21, 26 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbamoyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(4-ethynyl-1H-pyrrole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 158319913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).