2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one

C19H18F3N3O2 — CID 25073051

IUPAC2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(OC(F)F)c(CCF)c2)N=C1N
InChIInChI=1S/C19H18F3N3O2/c1-25-16(26)19(24-18(25)23,13-5-3-2-4-6-13)14-7-8-15(27-17(21)22)12(11-14)9-10-20/h2-8,11,17H,9-10H2,1H3,(H2,23,24)
InChIKeyUFCQHWWNURVMAR-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.83
Rot. Bonds6

About 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 25073051) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID25073051
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(OC(F)F)c(CCF)c2)N=C1N
InChIInChI=1S/C19H18F3N3O2/c1-25-16(26)19(24-18(25)23,13-5-3-2-4-6-13)14-7-8-15(27-17(21)22)12(11-14)9-10-20/h2-8,11,17H,9-10H2,1H3,(H2,23,24)
InChIKeyUFCQHWWNURVMAR-UHFFFAOYSA-N
XLogP2.83
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 25073051) is 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2ccc(OC(F)F)c(CCF)c2)N=C1N.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is UFCQHWWNURVMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-25-16(26)19(24-18(25)23,13-5-3-2-4-6-13)14-7-8-15(27-17(21)22)12(11-14)9-10-20/h2-8,11,17H,9-10H2,1H3,(H2,23,24).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 377.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 25073051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).