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

C21H21N3O3 — CID 90805674

IUPAC1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol
SMILESCc1ccc(-c2c(-c3ccccc3)c(O)c(O)n2CCCn2ccnc2)o1
InChIInChI=1S/C21H21N3O3/c1-15-8-9-17(27-15)19-18(16-6-3-2-4-7-16)20(25)21(26)24(19)12-5-11-23-13-10-22-14-23/h2-4,6-10,13-14,25-26H,5,11-12H2,1H3
InChIKeySTSDHAUJBMUSJD-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.42
Rot. Bonds6

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

1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol (PubChem CID 90805674) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol
PubChem CID90805674
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol
SMILESCc1ccc(-c2c(-c3ccccc3)c(O)c(O)n2CCCn2ccnc2)o1
InChIInChI=1S/C21H21N3O3/c1-15-8-9-17(27-15)19-18(16-6-3-2-4-7-16)20(25)21(26)24(19)12-5-11-23-13-10-22-14-23/h2-4,6-10,13-14,25-26H,5,11-12H2,1H3
InChIKeySTSDHAUJBMUSJD-UHFFFAOYSA-N
XLogP4.42
TPSA76.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(hydroxymethyl)furan-2-yl]-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 91311586
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
1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol
CID 91509535
5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 90763889
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
1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
CID 90890564
1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
CID 91539299
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
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-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol (CID 90805674) is 1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol is Cc1ccc(-c2c(-c3ccccc3)c(O)c(O)n2CCCn2ccnc2)o1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol?
The InChIKey is STSDHAUJBMUSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-8-9-17(27-15)19-18(16-6-3-2-4-7-16)20(25)21(26)24(19)12-5-11-23-13-10-22-14-23/h2-4,6-10,13-14,25-26H,5,11-12H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol?
1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol has a molecular weight of 363.42 g/mol, XLogP of 4.42, 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)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol is sourced from PubChem (CID 90805674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).