2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol

C19H16BrN3O — CID 142619933

IUPAC2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol
SMILESOC(Cn1cncc1-c1cc2cc(Br)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c20-15-6-7-16-14(8-15)9-17(22-16)18-10-21-12-23(18)11-19(24)13-4-2-1-3-5-13/h1-10,12,19,22,24H,11H2
InChIKeyKTIRFPFFOXIVKR-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.53
Rot. Bonds4

About 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol

2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol (PubChem CID 142619933) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol
PubChem CID142619933
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol
SMILESOC(Cn1cncc1-c1cc2cc(Br)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c20-15-6-7-16-14(8-15)9-17(22-16)18-10-21-12-23(18)11-19(24)13-4-2-1-3-5-13/h1-10,12,19,22,24H,11H2
InChIKeyKTIRFPFFOXIVKR-UHFFFAOYSA-N
XLogP4.53
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol (CID 142619933) is 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol is OC(Cn1cncc1-c1cc2cc(Br)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol?
The InChIKey is KTIRFPFFOXIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-15-6-7-16-14(8-15)9-17(22-16)18-10-21-12-23(18)11-19(24)13-4-2-1-3-5-13/h1-10,12,19,22,24H,11H2.
What are the key properties of 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol?
2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol has a molecular weight of 382.26 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 142619933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).