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

C24H25N3O2 — CID 90763889

IUPAC5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
SMILESCc1ccc(-c2c(-c3ccccc3)c(O)c(O)n2CCCn2ccnc2)cc1C
InChIInChI=1S/C24H25N3O2/c1-17-9-10-20(15-18(17)2)22-21(19-7-4-3-5-8-19)23(28)24(29)27(22)13-6-12-26-14-11-25-16-26/h3-5,7-11,14-16,28-29H,6,12-13H2,1-2H3
InChIKeyQXVNRLNBMRRYFV-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.14
Rot. Bonds6

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

5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol (PubChem CID 90763889) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
PubChem CID90763889
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
SMILESCc1ccc(-c2c(-c3ccccc3)c(O)c(O)n2CCCn2ccnc2)cc1C
InChIInChI=1S/C24H25N3O2/c1-17-9-10-20(15-18(17)2)22-21(19-7-4-3-5-8-19)23(28)24(29)27(22)13-6-12-26-14-11-25-16-26/h3-5,7-11,14-16,28-29H,6,12-13H2,1-2H3
InChIKeyQXVNRLNBMRRYFV-UHFFFAOYSA-N
XLogP5.14
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.14
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
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-(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
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
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The IUPAC name of 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol (CID 90763889) is 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol is Cc1ccc(-c2c(-c3ccccc3)c(O)c(O)n2CCCn2ccnc2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The InChIKey is QXVNRLNBMRRYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-9-10-20(15-18(17)2)22-21(19-7-4-3-5-8-19)23(28)24(29)27(22)13-6-12-26-14-11-25-16-26/h3-5,7-11,14-16,28-29H,6,12-13H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol has a molecular weight of 387.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol is sourced from PubChem (CID 90763889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).