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

C17H19N3O2 — CID 91509535

IUPAC1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol
SMILESCc1c(-c2ccccc2)c(O)c(O)n1CCCn1ccnc1
InChIInChI=1S/C17H19N3O2/c1-13-15(14-6-3-2-4-7-14)16(21)17(22)20(13)10-5-9-19-11-8-18-12-19/h2-4,6-8,11-12,21-22H,5,9-10H2,1H3
InChIKeyVIBAJTNJAMDONY-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.16
Rot. Bonds5

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

1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol (PubChem CID 91509535) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol
PubChem CID91509535
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol
SMILESCc1c(-c2ccccc2)c(O)c(O)n1CCCn1ccnc1
InChIInChI=1S/C17H19N3O2/c1-13-15(14-6-3-2-4-7-14)16(21)17(22)20(13)10-5-9-19-11-8-18-12-19/h2-4,6-8,11-12,21-22H,5,9-10H2,1H3
InChIKeyVIBAJTNJAMDONY-UHFFFAOYSA-N
XLogP3.16
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol
CID 91465452
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-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol
CID 90805674
5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 136659472
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-phenylpyrrole-2,3-diol
CID 91392022
5-[5-(hydroxymethyl)furan-2-yl]-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 91311586
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)-5-methyl-4-phenylpyrrole-2,3-diol?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol (CID 91509535) is 1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol is Cc1c(-c2ccccc2)c(O)c(O)n1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol?
The InChIKey is VIBAJTNJAMDONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-15(14-6-3-2-4-7-14)16(21)17(22)20(13)10-5-9-19-11-8-18-12-19/h2-4,6-8,11-12,21-22H,5,9-10H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol?
1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol has a molecular weight of 297.36 g/mol, XLogP of 3.16, 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)-5-methyl-4-phenylpyrrole-2,3-diol is sourced from PubChem (CID 91509535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).