4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol

C17H17N3O2 — CID 11087724

IUPAC4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol
SMILESNc1nc(Cc2ccc(O)cc2)cn1Cc1ccc(O)cc1
InChIInChI=1S/C17H17N3O2/c18-17-19-14(9-12-1-5-15(21)6-2-12)11-20(17)10-13-3-7-16(22)8-4-13/h1-8,11,21-22H,9-10H2,(H2,18,19)
InChIKeyRMJPULKXRISLLW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.52
Rot. Bonds4

About 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol

4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol (PubChem CID 11087724) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol
PubChem CID11087724
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol
SMILESNc1nc(Cc2ccc(O)cc2)cn1Cc1ccc(O)cc1
InChIInChI=1S/C17H17N3O2/c18-17-19-14(9-12-1-5-15(21)6-2-12)11-20(17)10-13-3-7-16(22)8-4-13/h1-8,11,21-22H,9-10H2,(H2,18,19)
InChIKeyRMJPULKXRISLLW-UHFFFAOYSA-N
XLogP2.52
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol 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 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol?
The IUPAC name of 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol (CID 11087724) is 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol?
The canonical SMILES for 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol is Nc1nc(Cc2ccc(O)cc2)cn1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol?
The InChIKey is RMJPULKXRISLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-17-19-14(9-12-1-5-15(21)6-2-12)11-20(17)10-13-3-7-16(22)8-4-13/h1-8,11,21-22H,9-10H2,(H2,18,19).
What are the key properties of 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol?
4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol has a molecular weight of 295.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol is sourced from PubChem (CID 11087724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).