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

C19H19N5O2 — CID 136659472

IUPAC5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
SMILESOc1c(-c2ccccc2)c(-c2ncc[nH]2)n(CCCn2ccnc2)c1O
InChIInChI=1S/C19H19N5O2/c25-17-15(14-5-2-1-3-6-14)16(18-21-7-8-22-18)24(19(17)26)11-4-10-23-12-9-20-13-23/h1-3,5-9,12-13,25-26H,4,10-11H2,(H,21,22)
InChIKeyLBOIKHFQPXYQNI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.24
Rot. Bonds6

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

5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol (PubChem CID 136659472) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
PubChem CID136659472
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
SMILESOc1c(-c2ccccc2)c(-c2ncc[nH]2)n(CCCn2ccnc2)c1O
InChIInChI=1S/C19H19N5O2/c25-17-15(14-5-2-1-3-6-14)16(18-21-7-8-22-18)24(19(17)26)11-4-10-23-12-9-20-13-23/h1-3,5-9,12-13,25-26H,4,10-11H2,(H,21,22)
InChIKeyLBOIKHFQPXYQNI-UHFFFAOYSA-N
XLogP3.24
TPSA91.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol
CID 91509535
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-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrole-2,3-diol
CID 91546104
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol
CID 136646820

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The IUPAC name of 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol (CID 136659472) is 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The canonical SMILES for 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol is Oc1c(-c2ccccc2)c(-c2ncc[nH]2)n(CCCn2ccnc2)c1O.
What is the InChIKey of 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The InChIKey is LBOIKHFQPXYQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-17-15(14-5-2-1-3-6-14)16(18-21-7-8-22-18)24(19(17)26)11-4-10-23-12-9-20-13-23/h1-3,5-9,12-13,25-26H,4,10-11H2,(H,21,22).
What are the key properties of 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol has a molecular weight of 349.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol is sourced from PubChem (CID 136659472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).