trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide

C44H56N6O4 — CID 118459855

About trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide

trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 118459855) has the molecular formula C44H56N6O4 and a molecular weight of 732.97 g/mol. Its IUPAC name is trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide
• PubChem CID: 118459855
• Molecular Formula: C44H56N6O4
• Molecular Weight: 732.97 g/mol
• Exact Mass: 732.44
• IUPAC Name: trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide
• SMILES: CC1([C@H](NC(=O)[C@]2(C)CCCC[C@@H]2O)c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H](NC(=O)[C@]6(C)CCCC[C@@H]6O)C6(C)CC6)[nH]5)cc4)cc3)[nH]2)CC1
• InChI: InChI=1S/C44H56N6O4/c1-41(21-22-41)35(49-39(53)43(3)19-7-5-9-33(43)51)37-45-25-31(47-37)29-15-11-27(12-16-29)28-13-17-30(18-14-28)32-26-46-38(48-32)36(42(2)23-24-42)50-40(54)44(4)20-8-6-10-34(44)52/h11-18,25-26,33-36,51-52H,5-10,19-24H2,1-4H3,(H,45,47)(H,46,48)(H,49,53)(H,50,54)/t33-,34-,35+,36+,43+,44+/m0/s1
• InChIKey: ZGNOXZAOXCBJBC-BVAGYUCKSA-N
• XLogP: 7.93
• TPSA: 156.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	732.97
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide?

The IUPAC name of trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide (CID 118459855) is trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide.

What is the SMILES notation for trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide?

The canonical SMILES for trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide is CC1([C@H](NC(=O)[C@]2(C)CCCC[C@@H]2O)c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H](NC(=O)[C@]6(C)CCCC[C@@H]6O)C6(C)CC6)[nH]5)cc4)cc3)[nH]2)CC1.

What is the InChIKey of trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide?

The InChIKey is ZGNOXZAOXCBJBC-BVAGYUCKSA-N. The full InChI is InChI=1S/C44H56N6O4/c1-41(21-22-41)35(49-39(53)43(3)19-7-5-9-33(43)51)37-45-25-31(47-37)29-15-11-27(12-16-29)28-13-17-30(18-14-28)32-26-46-38(48-32)36(42(2)23-24-42)50-40(54)44(4)20-8-6-10-34(44)52/h11-18,25-26,33-36,51-52H,5-10,19-24H2,1-4H3,(H,45,47)(H,46,48)(H,49,53)(H,50,54)/t33-,34-,35+,36+,43+,44+/m0/s1.

What are the key properties of trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide?

trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 732.97 g/mol, XLogP of 7.93, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2S)-2-hydroxy-N-[(S)-[5-[4-[4-[2-[(S)-[[(1R,2S)-2-hydroxy-1-methylcyclohexanecarbonyl]amino]-(1-methylcyclopropyl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-(1-methylcyclopropyl)methyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118459855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).