5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol

C24H21FN4O2 — CID 91252044

IUPAC5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol
SMILESOc1c(-c2c[nH]c3ccccc23)c(-c2ccccc2F)n(CCCn2ccnc2)c1O
InChIInChI=1S/C24H21FN4O2/c25-19-8-3-1-7-17(19)22-21(18-14-27-20-9-4-2-6-16(18)20)23(30)24(31)29(22)12-5-11-28-13-10-26-15-28/h1-4,6-10,13-15,27,30-31H,5,11-12H2
InChIKeyZVLGIAACQICMKI-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.14
Rot. Bonds6

About 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol

5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol (PubChem CID 91252044) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol
PubChem CID91252044
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol
SMILESOc1c(-c2c[nH]c3ccccc23)c(-c2ccccc2F)n(CCCn2ccnc2)c1O
InChIInChI=1S/C24H21FN4O2/c25-19-8-3-1-7-17(19)22-21(18-14-27-20-9-4-2-6-16(18)20)23(30)24(31)29(22)12-5-11-28-13-10-26-15-28/h1-4,6-10,13-15,27,30-31H,5,11-12H2
InChIKeyZVLGIAACQICMKI-UHFFFAOYSA-N
XLogP5.14
TPSA79.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619909
2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619931
4-[3-(1H-imidazol-2-yl)-1H-indol-2-yl]phenol
CID 136068388
3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619912
4-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619929
3-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]-1H-indol-6-ol
CID 46216377
3-((1H-benzo[d]imidazol-2-yl)methyl)-1-ethyl-6-fluoro-1H-indol-4-ol
CID 67234935
1-(3H-benzimidazol-5-yl)-4-ethyl-5-(2,3,5-trifluorophenyl)pyrrole-2,3-diol
CID 90705908
1-(3H-benzimidazol-5-yl)-5-(3-fluorophenyl)-4-pentylpyrrole-2,3-diol
CID 90717514
1-(3H-benzimidazol-5-yl)-5-(2,6-difluorophenyl)-4-methylpyrrole-2,3-diol
CID 90720937
5-(2-Fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol
CID 90774375
5-(2-Fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
CID 90836546

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol?
The IUPAC name of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol (CID 91252044) is 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol?
The canonical SMILES for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol is Oc1c(-c2c[nH]c3ccccc23)c(-c2ccccc2F)n(CCCn2ccnc2)c1O.
What is the InChIKey of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol?
The InChIKey is ZVLGIAACQICMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-19-8-3-1-7-17(19)22-21(18-14-27-20-9-4-2-6-16(18)20)23(30)24(31)29(22)12-5-11-28-13-10-26-15-28/h1-4,6-10,13-15,27,30-31H,5,11-12H2.
What are the key properties of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol?
5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol has a molecular weight of 416.46 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol is sourced from PubChem (CID 91252044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).