5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol

C19H16FN3O2 — CID 110453834

IUPAC5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol
SMILESCOc1ccc(C(c2c[nH]c3ccc(F)cc23)n2ccnc2)cc1O
InChIInChI=1S/C19H16FN3O2/c1-25-18-5-2-12(8-17(18)24)19(23-7-6-21-11-23)15-10-22-16-4-3-13(20)9-14(15)16/h2-11,19,22,24H,1H3
InChIKeyWPSWSPGFJYZDHW-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.86
Rot. Bonds4

About 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol

5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol (PubChem CID 110453834) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol
PubChem CID110453834
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol
SMILESCOc1ccc(C(c2c[nH]c3ccc(F)cc23)n2ccnc2)cc1O
InChIInChI=1S/C19H16FN3O2/c1-25-18-5-2-12(8-17(18)24)19(23-7-6-21-11-23)15-10-22-16-4-3-13(20)9-14(15)16/h2-11,19,22,24H,1H3
InChIKeyWPSWSPGFJYZDHW-UHFFFAOYSA-N
XLogP3.86
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]benzene-1,2-diol
CID 110453827
5-fluoro-3-[imidazol-1-yl-(3-nitrophenyl)methyl]-1H-indole
CID 110453833
4-[imidazol-1-yl-(5-methoxy-1H-indol-3-yl)methyl]benzoic acid
CID 110453817
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole
CID 110453762
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
5-fluoro-1H-indol-3-ol
CID 90083452
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 139526052
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
(Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile
CID 171787546
1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
CID 143371983

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol?
The IUPAC name of 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol (CID 110453834) is 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol?
The canonical SMILES for 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol is COc1ccc(C(c2c[nH]c3ccc(F)cc23)n2ccnc2)cc1O.
What is the InChIKey of 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol?
The InChIKey is WPSWSPGFJYZDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-25-18-5-2-12(8-17(18)24)19(23-7-6-21-11-23)15-10-22-16-4-3-13(20)9-14(15)16/h2-11,19,22,24H,1H3.
What are the key properties of 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol?
5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol has a molecular weight of 337.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-1H-indol-3-yl)-imidazol-1-ylmethyl]-2-methoxyphenol is sourced from PubChem (CID 110453834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).