1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol

C18H21N3O2 — CID 90890564

IUPAC1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
SMILESCc1ccc(-c2c(C)c(O)c(O)n2CCCn2ccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-6-15(7-5-13)16-14(2)17(22)18(23)21(16)10-3-9-20-11-8-19-12-20/h4-8,11-12,22-23H,3,9-10H2,1-2H3
InChIKeyKBEGBXCFZWYEKF-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.47
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol

1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol (PubChem CID 90890564) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
PubChem CID90890564
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
SMILESCc1ccc(-c2c(C)c(O)c(O)n2CCCn2ccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-6-15(7-5-13)16-14(2)17(22)18(23)21(16)10-3-9-20-11-8-19-12-20/h4-8,11-12,22-23H,3,9-10H2,1-2H3
InChIKeyKBEGBXCFZWYEKF-UHFFFAOYSA-N
XLogP3.47
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-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-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
CID 91539299
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-phenylpyrrole-2,3-diol
CID 91392022
1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol
CID 136641839
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
1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol
CID 90805674
5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
CID 91140340
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol
CID 136646820
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
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol (CID 90890564) is 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol is Cc1ccc(-c2c(C)c(O)c(O)n2CCCn2ccnc2)cc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol?
The InChIKey is KBEGBXCFZWYEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-6-15(7-5-13)16-14(2)17(22)18(23)21(16)10-3-9-20-11-8-19-12-20/h4-8,11-12,22-23H,3,9-10H2,1-2H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol?
1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol has a molecular weight of 311.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol is sourced from PubChem (CID 90890564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).