2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one

C22H19F2N3O3 — CID 59305373

IUPAC2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(Cc3ccco3)c2)N=C1N
InChIInChI=1S/C22H19F2N3O3/c1-27-19(28)22(26-21(27)25,15-7-9-17(10-8-15)30-20(23)24)16-5-2-4-14(12-16)13-18-6-3-11-29-18/h2-12,20H,13H2,1H3,(H2,25,26)
InChIKeySRVJEOTYQZBTLJ-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.50
Rot. Bonds6

About 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one

2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one (PubChem CID 59305373) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one
PubChem CID59305373
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(Cc3ccco3)c2)N=C1N
InChIInChI=1S/C22H19F2N3O3/c1-27-19(28)22(26-21(27)25,15-7-9-17(10-8-15)30-20(23)24)16-5-2-4-14(12-16)13-18-6-3-11-29-18/h2-12,20H,13H2,1H3,(H2,25,26)
InChIKeySRVJEOTYQZBTLJ-UHFFFAOYSA-N
XLogP3.50
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one (CID 59305373) is 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one is CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(Cc3ccco3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is SRVJEOTYQZBTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c1-27-19(28)22(26-21(27)25,15-7-9-17(10-8-15)30-20(23)24)16-5-2-4-14(12-16)13-18-6-3-11-29-18/h2-12,20H,13H2,1H3,(H2,25,26).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 411.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 59305373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).