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

C18H14BrN3O — CID 142619907

IUPAC2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
SMILESOc1ccccc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C18H14BrN3O/c19-13-5-6-16-12(7-13)8-14(21-16)10-22-11-20-9-17(22)15-3-1-2-4-18(15)23/h1-9,11,21,23H,10H2
InChIKeyPIPVVXXXDHECFG-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.55
Rot. Bonds3

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

2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol (PubChem CID 142619907) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol.

Molecular Properties

Compound Name2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
PubChem CID142619907
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
SMILESOc1ccccc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C18H14BrN3O/c19-13-5-6-16-12(7-13)8-14(21-16)10-22-11-20-9-17(22)15-3-1-2-4-18(15)23/h1-9,11,21,23H,10H2
InChIKeyPIPVVXXXDHECFG-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The IUPAC name of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol (CID 142619907) is 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol.
What is the SMILES notation for 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The canonical SMILES for 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol is Oc1ccccc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The InChIKey is PIPVVXXXDHECFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-13-5-6-16-12(7-13)8-14(21-16)10-22-11-20-9-17(22)15-3-1-2-4-18(15)23/h1-9,11,21,23H,10H2.
What are the key properties of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]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 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol is sourced from PubChem (CID 142619907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).