2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol

C20H14Br2FN3O — CID 135770651

IUPAC2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol
SMILESOc1c(Br)cc(C2=NC(c3ccc(F)cc3)C(c3ccncc3)N2)cc1Br
InChIInChI=1S/C20H14Br2FN3O/c21-15-9-13(10-16(22)19(15)27)20-25-17(11-1-3-14(23)4-2-11)18(26-20)12-5-7-24-8-6-12/h1-10,17-18,27H,(H,25,26)
InChIKeyKZTCNGXWWHASPD-UHFFFAOYSA-N
MW491.16 g/mol
LogP5.28
Rot. Bonds3

About 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol

2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol (PubChem CID 135770651) has the molecular formula C20H14Br2FN3O and a molecular weight of 491.16 g/mol. Its IUPAC name is 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol
PubChem CID135770651
Molecular FormulaC20H14Br2FN3O
Molecular Weight491.16 g/mol
Exact Mass488.95
IUPAC Name2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol
SMILESOc1c(Br)cc(C2=NC(c3ccc(F)cc3)C(c3ccncc3)N2)cc1Br
InChIInChI=1S/C20H14Br2FN3O/c21-15-9-13(10-16(22)19(15)27)20-25-17(11-1-3-14(23)4-2-11)18(26-20)12-5-7-24-8-6-12/h1-10,17-18,27H,(H,25,26)
InChIKeyKZTCNGXWWHASPD-UHFFFAOYSA-N
XLogP5.28
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.16
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol (CID 135770651) is 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol is Oc1c(Br)cc(C2=NC(c3ccc(F)cc3)C(c3ccncc3)N2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol?
The InChIKey is KZTCNGXWWHASPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2FN3O/c21-15-9-13(10-16(22)19(15)27)20-25-17(11-1-3-14(23)4-2-11)18(26-20)12-5-7-24-8-6-12/h1-10,17-18,27H,(H,25,26).
What are the key properties of 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol?
2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol has a molecular weight of 491.16 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 135770651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).