3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol

C18H14FN3O — CID 142619912

IUPAC3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
SMILESOc1cccc(-c2cncn2Cc2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C18H14FN3O/c19-14-4-5-17-13(6-14)7-15(21-17)10-22-11-20-9-18(22)12-2-1-3-16(23)8-12/h1-9,11,21,23H,10H2
InChIKeyPZMSFDYEFUPXDS-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.92
Rot. Bonds3

About 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol

3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol (PubChem CID 142619912) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
PubChem CID142619912
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
SMILESOc1cccc(-c2cncn2Cc2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C18H14FN3O/c19-14-4-5-17-13(6-14)7-15(21-17)10-22-11-20-9-18(22)12-2-1-3-16(23)8-12/h1-9,11,21,23H,10H2
InChIKeyPZMSFDYEFUPXDS-UHFFFAOYSA-N
XLogP3.92
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The IUPAC name of 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol (CID 142619912) is 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol.
What is the SMILES notation for 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The canonical SMILES for 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol is Oc1cccc(-c2cncn2Cc2cc3cc(F)ccc3[nH]2)c1.
What is the InChIKey of 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The InChIKey is PZMSFDYEFUPXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-14-4-5-17-13(6-14)7-15(21-17)10-22-11-20-9-18(22)12-2-1-3-16(23)8-12/h1-9,11,21,23H,10H2.
What are the key properties of 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol has a molecular weight of 307.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol is sourced from PubChem (CID 142619912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).