1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide

C26H27N3O3S — CID 22391690

IUPAC1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3cccs3)cc2)cn1
InChIInChI=1S/C26H27N3O3S/c27-26(31)23-16-29(18-28-23)15-22(30)7-3-6-20-5-1-2-8-24(20)32-17-19-10-12-21(13-11-19)25-9-4-14-33-25/h1-2,4-5,8-14,16,18,22,30H,3,6-7,15,17H2,(H2,27,31)
InChIKeyWUDBNRRPCFCSSW-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.67
Rot. Bonds11

About 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide

1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide (PubChem CID 22391690) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
PubChem CID22391690
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3cccs3)cc2)cn1
InChIInChI=1S/C26H27N3O3S/c27-26(31)23-16-29(18-28-23)15-22(30)7-3-6-20-5-1-2-8-24(20)32-17-19-10-12-21(13-11-19)25-9-4-14-33-25/h1-2,4-5,8-14,16,18,22,30H,3,6-7,15,17H2,(H2,27,31)
InChIKeyWUDBNRRPCFCSSW-UHFFFAOYSA-N
XLogP4.67
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]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-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide (CID 22391690) is 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3cccs3)cc2)cn1.
What is the InChIKey of 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The InChIKey is WUDBNRRPCFCSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c27-26(31)23-16-29(18-28-23)15-22(30)7-3-6-20-5-1-2-8-24(20)32-17-19-10-12-21(13-11-19)25-9-4-14-33-25/h1-2,4-5,8-14,16,18,22,30H,3,6-7,15,17H2,(H2,27,31).
What are the key properties of 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide?
1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22391690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).