4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol

C21H17N7O — CID 46176285

IUPAC4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol
SMILESOc1ccc(-n2c(Cc3nn[nH]n3)ccc2-c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C21H17N7O/c29-19-8-5-17(6-9-19)28-18(13-21-23-25-26-24-21)7-10-20(28)15-1-3-16(4-2-15)27-12-11-22-14-27/h1-12,14,29H,13H2,(H,23,24,25,26)
InChIKeyRVXVILFRTKQJRY-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.14
Rot. Bonds5

About 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol

4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol (PubChem CID 46176285) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol
PubChem CID46176285
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol
SMILESOc1ccc(-n2c(Cc3nn[nH]n3)ccc2-c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C21H17N7O/c29-19-8-5-17(6-9-19)28-18(13-21-23-25-26-24-21)7-10-20(28)15-1-3-16(4-2-15)27-12-11-22-14-27/h1-12,14,29H,13H2,(H,23,24,25,26)
InChIKeyRVXVILFRTKQJRY-UHFFFAOYSA-N
XLogP3.14
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]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-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol?
The IUPAC name of 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol (CID 46176285) is 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol.
What is the SMILES notation for 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol?
The canonical SMILES for 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol is Oc1ccc(-n2c(Cc3nn[nH]n3)ccc2-c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol?
The InChIKey is RVXVILFRTKQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c29-19-8-5-17(6-9-19)28-18(13-21-23-25-26-24-21)7-10-20(28)15-1-3-16(4-2-15)27-12-11-22-14-27/h1-12,14,29H,13H2,(H,23,24,25,26).
What are the key properties of 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol?
4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol has a molecular weight of 383.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol is sourced from PubChem (CID 46176285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).