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

C26H30N4O3 — CID 11155059

IUPAC1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1
InChIInChI=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
InChIKeyHWILAVRZSLFQAM-JOCHJYFZSA-N
MW446.55 g/mol
LogP3.96
Rot. Bonds12

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 Name1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
PubChem CID11155059
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1
InChIInChI=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
InChIKeyHWILAVRZSLFQAM-JOCHJYFZSA-N
XLogP3.96
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).