bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide

C104H126N14O12 — CID 161496802

About bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide

bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide (PubChem CID 161496802) has the molecular formula C104H126N14O12 and a molecular weight of 1764.24 g/mol. Its IUPAC name is bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide
• PubChem CID: 161496802
• Molecular Formula: C104H126N14O12
• Molecular Weight: 1764.24 g/mol
• Exact Mass: 1762.97
• IUPAC Name: bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCOCC3)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)C[C@@H](C)O[C@@H](C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)C[C@@H](C)O[C@@H](C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)C[C@@H](C)O[C@@H](C)C3)nc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/2C27H33N3O3.C26H32N4O3.C24H28N4O3/c2*1-6-21-16-28-24(29-21)25(31)30-23-8-7-20(27(32)14-17(2)33-18(3)15-27)13-22(23)19-9-11-26(4,5)12-10-19;1-6-19-15-27-23(28-19)24(31)29-20-7-8-21(26(32)13-16(2)33-17(3)14-26)30-22(20)18-9-11-25(4,5)12-10-18;1-4-17-15-25-21(26-17)22(29)27-18-5-6-19(24(30)11-13-31-14-12-24)28-20(18)16-7-9-23(2,3)10-8-16/h2*1,7-9,13,16-18,32H,10-12,14-15H2,2-5H3,(H,28,29)(H,30,31);1,7-9,15-17,32H,10-14H2,2-5H3,(H,27,28)(H,29,31);1,5-7,15,30H,8-14H2,2-3H3,(H,25,26)(H,27,29)/t2*17-,18+,27?;16-,17+,26?
• InChIKey: WGHXZIQNDFIQKZ-JWLKMDEOSA-N
• XLogP: 18.06
• TPSA: 374.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1764.24
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The IUPAC name of bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide (CID 161496802) is bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The canonical SMILES for bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCOCC3)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)C[C@@H](C)O[C@@H](C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)C[C@@H](C)O[C@@H](C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)C[C@@H](C)O[C@@H](C)C3)nc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The InChIKey is WGHXZIQNDFIQKZ-JWLKMDEOSA-N. The full InChI is InChI=1S/2C27H33N3O3.C26H32N4O3.C24H28N4O3/c2*1-6-21-16-28-24(29-21)25(31)30-23-8-7-20(27(32)14-17(2)33-18(3)15-27)13-22(23)19-9-11-26(4,5)12-10-19;1-6-19-15-27-23(28-19)24(31)29-20-7-8-21(26(32)13-16(2)33-17(3)14-26)30-22(20)18-9-11-25(4,5)12-10-18;1-4-17-15-25-21(26-17)22(29)27-18-5-6-19(24(30)11-13-31-14-12-24)28-20(18)16-7-9-23(2,3)10-8-16/h2*1,7-9,13,16-18,32H,10-12,14-15H2,2-5H3,(H,28,29)(H,30,31);1,7-9,15-17,32H,10-14H2,2-5H3,(H,27,28)(H,29,31);1,5-7,15,30H,8-14H2,2-3H3,(H,25,26)(H,27,29)/t2*17-,18+,27?;16-,17+,26?;.

What are the key properties of bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide?

bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide has a molecular weight of 1764.24 g/mol, XLogP of 18.06, 16 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide);N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(4-hydroxyoxan-4-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 161496802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).