2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one

C18H16BrF2N3O2 — CID 25071483

IUPAC2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C18H16BrF2N3O2/c1-10-8-12(6-7-14(10)26-16(20)21)18(11-4-3-5-13(19)9-11)15(25)24(2)17(22)23-18/h3-9,16H,1-2H3,(H2,22,23)
InChIKeyZHOCQRNIPXVPIU-UHFFFAOYSA-N
MW424.25 g/mol
LogP3.39
Rot. Bonds4

About 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one

2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one (PubChem CID 25071483) has the molecular formula C18H16BrF2N3O2 and a molecular weight of 424.25 g/mol. Its IUPAC name is 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one
PubChem CID25071483
Molecular FormulaC18H16BrF2N3O2
Molecular Weight424.25 g/mol
Exact Mass423.04
IUPAC Name2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C18H16BrF2N3O2/c1-10-8-12(6-7-14(10)26-16(20)21)18(11-4-3-5-13(19)9-11)15(25)24(2)17(22)23-18/h3-9,16H,1-2H3,(H2,22,23)
InChIKeyZHOCQRNIPXVPIU-UHFFFAOYSA-N
XLogP3.39
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one (CID 25071483) is 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one is Cc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one?
The InChIKey is ZHOCQRNIPXVPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2N3O2/c1-10-8-12(6-7-14(10)26-16(20)21)18(11-4-3-5-13(19)9-11)15(25)24(2)17(22)23-18/h3-9,16H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one?
2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one has a molecular weight of 424.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 25071483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).