1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol

C21H20N4O2 — CID 136641839

IUPAC1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol
SMILESOc1c(-c2ccccc2)c(-c2ccncc2)n(CCCn2ccnc2)c1O
InChIInChI=1S/C21H20N4O2/c26-20-18(16-5-2-1-3-6-16)19(17-7-9-22-10-8-17)25(21(20)27)13-4-12-24-14-11-23-15-24/h1-3,5-11,14-15,26-27H,4,12-13H2
InChIKeyZVIUOUJIWOOXAY-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.92
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol

1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol (PubChem CID 136641839) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol
PubChem CID136641839
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol
SMILESOc1c(-c2ccccc2)c(-c2ccncc2)n(CCCn2ccnc2)c1O
InChIInChI=1S/C21H20N4O2/c26-20-18(16-5-2-1-3-6-16)19(17-7-9-22-10-8-17)25(21(20)27)13-4-12-24-14-11-23-15-24/h1-3,5-11,14-15,26-27H,4,12-13H2
InChIKeyZVIUOUJIWOOXAY-UHFFFAOYSA-N
XLogP3.92
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol
CID 91465452
1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol
CID 90805674
5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 90763889
1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol
CID 91509535
5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 136659472
5-[5-(hydroxymethyl)furan-2-yl]-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 91311586
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-phenylpyrrole-2,3-diol
CID 91392022
1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
CID 90890564
5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
CID 91140340
1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
CID 91539299
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol
CID 136646820
1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrole-2,3-diol
CID 91546104

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol (CID 136641839) is 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol is Oc1c(-c2ccccc2)c(-c2ccncc2)n(CCCn2ccnc2)c1O.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol?
The InChIKey is ZVIUOUJIWOOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20-18(16-5-2-1-3-6-16)19(17-7-9-22-10-8-17)25(21(20)27)13-4-12-24-14-11-23-15-24/h1-3,5-11,14-15,26-27H,4,12-13H2.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol?
1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol has a molecular weight of 360.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol is sourced from PubChem (CID 136641839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).