1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol

C20H26N4O2 — CID 136646820

IUPAC1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol
SMILESCCCCCc1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccn1
InChIInChI=1S/C20H26N4O2/c1-2-3-4-8-16-18(17-9-5-6-10-22-17)24(20(26)19(16)25)13-7-12-23-14-11-21-15-23/h5-6,9-11,14-15,25-26H,2-4,7-8,12-13H2,1H3
InChIKeyYLUOJSMAAUVVIV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.98
Rot. Bonds9

About 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol

1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol (PubChem CID 136646820) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol
PubChem CID136646820
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol
SMILESCCCCCc1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccn1
InChIInChI=1S/C20H26N4O2/c1-2-3-4-8-16-18(17-9-5-6-10-22-17)24(20(26)19(16)25)13-7-12-23-14-11-21-15-23/h5-6,9-11,14-15,25-26H,2-4,7-8,12-13H2,1H3
InChIKeyYLUOJSMAAUVVIV-UHFFFAOYSA-N
XLogP3.98
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-methyl-4-phenylpyrrole-2,3-diol
CID 91509535
5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
CID 91140340
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-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
CID 91539299
5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 136659472
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(2-pyridin-2-ylpyridine)
CID 11585550
acetic acid;1-decylimidazole
CID 175546754

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol (CID 136646820) is 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol is CCCCCc1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccn1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol?
The InChIKey is YLUOJSMAAUVVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-3-4-8-16-18(17-9-5-6-10-22-17)24(20(26)19(16)25)13-7-12-23-14-11-21-15-23/h5-6,9-11,14-15,25-26H,2-4,7-8,12-13H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol?
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol has a molecular weight of 354.45 g/mol, XLogP of 3.98, 9 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)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol is sourced from PubChem (CID 136646820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).