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

C18H13F2N3O — CID 142619909

IUPAC4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
SMILESOc1ccc(F)cc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H13F2N3O/c19-12-1-3-16-11(5-12)6-14(22-16)9-23-10-21-8-17(23)15-7-13(20)2-4-18(15)24/h1-8,10,22,24H,9H2
InChIKeyAOVCXKFOAYKQOI-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.06
Rot. Bonds3

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

4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol (PubChem CID 142619909) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
PubChem CID142619909
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
SMILESOc1ccc(F)cc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H13F2N3O/c19-12-1-3-16-11(5-12)6-14(22-16)9-23-10-21-8-17(23)15-7-13(20)2-4-18(15)24/h1-8,10,22,24H,9H2
InChIKeyAOVCXKFOAYKQOI-UHFFFAOYSA-N
XLogP4.06
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The IUPAC name of 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol (CID 142619909) is 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The canonical SMILES for 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol is Oc1ccc(F)cc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The InChIKey is AOVCXKFOAYKQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-12-1-3-16-11(5-12)6-14(22-16)9-23-10-21-8-17(23)15-7-13(20)2-4-18(15)24/h1-8,10,22,24H,9H2.
What are the key properties of 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol has a molecular weight of 325.32 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol is sourced from PubChem (CID 142619909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).