2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol

C18H13BrFN3O — CID 142619921

IUPAC2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C18H13BrFN3O/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
InChIKeyCYKQZXQSMNQYDL-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.69
Rot. Bonds3

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

2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol (PubChem CID 142619921) has the molecular formula C18H13BrFN3O and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol
PubChem CID142619921
Molecular FormulaC18H13BrFN3O
Molecular Weight386.22 g/mol
Exact Mass385.02
IUPAC Name2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C18H13BrFN3O/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
InChIKeyCYKQZXQSMNQYDL-UHFFFAOYSA-N
XLogP4.69
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol?
The IUPAC name of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol (CID 142619921) is 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol.
What is the SMILES notation for 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol?
The canonical SMILES for 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol is Oc1ccc(F)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol?
The InChIKey is CYKQZXQSMNQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O/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 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol?
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol has a molecular weight of 386.22 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol is sourced from PubChem (CID 142619921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).