1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide

C26H30N4O3 — CID 11155059

About 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide

1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide (PubChem CID 11155059) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
• PubChem CID: 11155059
• Molecular Formula: C26H30N4O3
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.23
• IUPAC Name: 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
• SMILES: NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1
• InChI: InChI=1S/C26H30N4O3/c27-26(32)24-17-30(19-28-24)22(18-31)12-14-29-13-11-21-9-10-23(16-25(21)29)33-15-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-11,13,16-17,19,22,31H,4-5,8,12,14-15,18H2,(H2,27,32)/t22-/m1/s1
• InChIKey: HWILAVRZSLFQAM-JOCHJYFZSA-N
• XLogP: 3.96
• TPSA: 95.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide?

The IUPAC name of 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide (CID 11155059) is 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide.

What is the SMILES notation for 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide?

The canonical SMILES for 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide is NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1.

What is the InChIKey of 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide?

The InChIKey is HWILAVRZSLFQAM-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N4O3/c27-26(32)24-17-30(19-28-24)22(18-31)12-14-29-13-11-21-9-10-23(16-25(21)29)33-15-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-11,13,16-17,19,22,31H,4-5,8,12,14-15,18H2,(H2,27,32)/t22-/m1/s1.

What are the key properties of 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide?

1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.96, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 11155059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).