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

C18H14BrN3O — CID 142619923

IUPAC3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)c1
InChIInChI=1S/C18H14BrN3O/c19-14-4-5-16-13(7-14)8-17(21-16)18-9-20-11-22(18)10-12-2-1-3-15(23)6-12/h1-9,11,21,23H,10H2
InChIKeyFPUYNFZIGIXUCA-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.55
Rot. Bonds3

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

3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol (PubChem CID 142619923) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol
PubChem CID142619923
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)c1
InChIInChI=1S/C18H14BrN3O/c19-14-4-5-16-13(7-14)8-17(21-16)18-9-20-11-22(18)10-12-2-1-3-15(23)6-12/h1-9,11,21,23H,10H2
InChIKeyFPUYNFZIGIXUCA-UHFFFAOYSA-N
XLogP4.55
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619907
4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619909
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol
CID 142619921
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol
CID 142619924
2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619931
3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenol
CID 53318230
4-[3-(1H-imidazol-2-yl)-1H-indol-2-yl]phenol
CID 136068388
1-(1-methylimidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride
CID 168277088
3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619912
5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole
CID 142619922
4-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619929
2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol
CID 142619933

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol (CID 142619923) is 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol is Oc1cccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)c1.
What is the InChIKey of 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol?
The InChIKey is FPUYNFZIGIXUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-14-4-5-16-13(7-14)8-17(21-16)18-9-20-11-22(18)10-12-2-1-3-15(23)6-12/h1-9,11,21,23H,10H2.
What are the key properties of 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol?
3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol has a molecular weight of 368.23 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 142619923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).