N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide

C111H150N14O14 — CID 159100059

About N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide

N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 159100059) has the molecular formula C111H150N14O14 and a molecular weight of 1904.50 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide
• PubChem CID: 159100059
• Molecular Formula: C111H150N14O14
• Molecular Weight: 1904.50 g/mol
• Exact Mass: 1903.15
• IUPAC Name: N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide
• SMILES: CC1(C)CC=C(c2cc(C3C[C@](C)(CO)O[C@](C)(CO)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.Cc1cnc(C(=O)Nc2ccc(C3CC(C)(C)OC(C)(C)C3)nc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3C[C@](C)(CO)O[C@](C)(CO)C3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C28H36N4O4.C28H37N3O4.C28H39N3O4.C27H38N4O2/c1-26(2)9-7-18(8-10-26)22-11-19(20-12-27(3,16-33)36-28(4,13-20)17-34)5-6-23(22)32-25(35)24-30-15-21(14-29)31-24;1-16-15-29-24(30-16)25(34)31-21-7-6-18(12-20(21)17-8-10-26(2,3)11-9-17)19-13-27(4)22(32)23(33)28(5,14-19)35-27;1-18-15-29-24(30-18)25(34)31-23-7-6-20(12-22(23)19-8-10-26(2,3)11-9-19)21-13-27(4,16-32)35-28(5,14-21)17-33;1-17-16-28-23(29-17)24(32)31-21-9-8-20(19-14-26(4,5)33-27(6,7)15-19)30-22(21)18-10-12-25(2,3)13-11-18/h5-7,11,15,20,33-34H,8-10,12-13,16-17H2,1-4H3,(H,30,31)(H,32,35);6-8,12,15,19,22-23,32-33H,9-11,13-14H2,1-5H3,(H,29,30)(H,31,34);6-8,12,15,21,32-33H,9-11,13-14,16-17H2,1-5H3,(H,29,30)(H,31,34);8-10,16,19H,11-15H2,1-7H3,(H,28,29)(H,31,32)/t20?,27-,28+;19?,22-,23+,27+,28-;21?,27-,28+
• InChIKey: KDDYCJWSEKSQPZ-YGJISPTISA-N
• XLogP: 20.60
• TPSA: 426.10 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.50
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide (CID 159100059) is N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C3C[C@](C)(CO)O[C@](C)(CO)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.Cc1cnc(C(=O)Nc2ccc(C3CC(C)(C)OC(C)(C)C3)nc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3C[C@](C)(CO)O[C@](C)(CO)C3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide?

The InChIKey is KDDYCJWSEKSQPZ-YGJISPTISA-N. The full InChI is InChI=1S/C28H36N4O4.C28H37N3O4.C28H39N3O4.C27H38N4O2/c1-26(2)9-7-18(8-10-26)22-11-19(20-12-27(3,16-33)36-28(4,13-20)17-34)5-6-23(22)32-25(35)24-30-15-21(14-29)31-24;1-16-15-29-24(30-16)25(34)31-21-7-6-18(12-20(21)17-8-10-26(2,3)11-9-17)19-13-27(4)22(32)23(33)28(5,14-19)35-27;1-18-15-29-24(30-18)25(34)31-23-7-6-20(12-22(23)19-8-10-26(2,3)11-9-19)21-13-27(4,16-32)35-28(5,14-21)17-33;1-17-16-28-23(29-17)24(32)31-21-9-8-20(19-14-26(4,5)33-27(6,7)15-19)30-22(21)18-10-12-25(2,3)13-11-18/h5-7,11,15,20,33-34H,8-10,12-13,16-17H2,1-4H3,(H,30,31)(H,32,35);6-8,12,15,19,22-23,32-33H,9-11,13-14H2,1-5H3,(H,29,30)(H,31,34);6-8,12,15,21,32-33H,9-11,13-14,16-17H2,1-5H3,(H,29,30)(H,31,34);8-10,16,19H,11-15H2,1-7H3,(H,28,29)(H,31,32)/t20?,27-,28+;19?,22-,23+,27+,28-;21?,27-,28+;.

What are the key properties of N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide?

N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 1904.50 g/mol, XLogP of 20.60, 20 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;N-[4-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 159100059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).