4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol

C16H11Br2F2N3O2 — CID 70964397

IUPAC4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol
SMILESNn1c(-c2cc(Br)c(O)c(Br)c2)cnc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C16H11Br2F2N3O2/c17-10-4-9(5-11(18)15(10)24)14-6-22-16(23(14)21)25-7-8-1-2-12(19)13(20)3-8/h1-6,24H,7,21H2
InChIKeyCHQJBSBRKGUNLB-UHFFFAOYSA-N
MW475.09 g/mol
LogP4.35
Rot. Bonds4

About 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol

4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol (PubChem CID 70964397) has the molecular formula C16H11Br2F2N3O2 and a molecular weight of 475.09 g/mol. Its IUPAC name is 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol.

Molecular Properties

Compound Name4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol
PubChem CID70964397
Molecular FormulaC16H11Br2F2N3O2
Molecular Weight475.09 g/mol
Exact Mass472.92
IUPAC Name4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol
SMILESNn1c(-c2cc(Br)c(O)c(Br)c2)cnc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C16H11Br2F2N3O2/c17-10-4-9(5-11(18)15(10)24)14-6-22-16(23(14)21)25-7-8-1-2-12(19)13(20)3-8/h1-6,24H,7,21H2
InChIKeyCHQJBSBRKGUNLB-UHFFFAOYSA-N
XLogP4.35
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.09
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol?
The IUPAC name of 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol (CID 70964397) is 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol.
What is the SMILES notation for 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol?
The canonical SMILES for 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol is Nn1c(-c2cc(Br)c(O)c(Br)c2)cnc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol?
The InChIKey is CHQJBSBRKGUNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2F2N3O2/c17-10-4-9(5-11(18)15(10)24)14-6-22-16(23(14)21)25-7-8-1-2-12(19)13(20)3-8/h1-6,24H,7,21H2.
What are the key properties of 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol?
4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol has a molecular weight of 475.09 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-[(3,4-difluorophenyl)methoxy]imidazol-4-yl]-2,6-dibromophenol is sourced from PubChem (CID 70964397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).