1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide

C25H31N3O3 — CID 10112936

IUPAC1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide
SMILESCC(C)c1ccc(COc2ccccc2CCC(C(C)O)n2cnc(C(N)=O)c2)cc1
InChIInChI=1S/C25H31N3O3/c1-17(2)20-10-8-19(9-11-20)15-31-24-7-5-4-6-21(24)12-13-23(18(3)29)28-14-22(25(26)30)27-16-28/h4-11,14,16-18,23,29H,12-13,15H2,1-3H3,(H2,26,30)
InChIKeyZWMPVFWLVNWTFB-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.24
Rot. Bonds10

About 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide

1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide (PubChem CID 10112936) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide
PubChem CID10112936
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide
SMILESCC(C)c1ccc(COc2ccccc2CCC(C(C)O)n2cnc(C(N)=O)c2)cc1
InChIInChI=1S/C25H31N3O3/c1-17(2)20-10-8-19(9-11-20)15-31-24-7-5-4-6-21(24)12-13-23(18(3)29)28-14-22(25(26)30)27-16-28/h4-11,14,16-18,23,29H,12-13,15H2,1-3H3,(H2,26,30)
InChIKeyZWMPVFWLVNWTFB-UHFFFAOYSA-N
XLogP4.24
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-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-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide (CID 10112936) is 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide is CC(C)c1ccc(COc2ccccc2CCC(C(C)O)n2cnc(C(N)=O)c2)cc1.
What is the InChIKey of 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide?
The InChIKey is ZWMPVFWLVNWTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17(2)20-10-8-19(9-11-20)15-31-24-7-5-4-6-21(24)12-13-23(18(3)29)28-14-22(25(26)30)27-16-28/h4-11,14,16-18,23,29H,12-13,15H2,1-3H3,(H2,26,30).
What are the key properties of 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide?
1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]pentan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 10112936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).