2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one

C20H18F3N3O2 — CID 25125321

IUPAC2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one
SMILESC/C=C\c1cc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)ccc1F
InChIInChI=1S/C20H18F3N3O2/c1-3-4-12-11-14(7-10-16(12)21)20(17(27)26(2)19(24)25-20)13-5-8-15(9-6-13)28-18(22)23/h3-11,18H,1-2H3,(H2,24,25)/b4-3-
InChIKeyWBTJBBGLGRKVFF-ARJAWSKDSA-N
MW389.38 g/mol
LogP3.49
Rot. Bonds5

About 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one

2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one (PubChem CID 25125321) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one
PubChem CID25125321
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one
SMILESC/C=C\c1cc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)ccc1F
InChIInChI=1S/C20H18F3N3O2/c1-3-4-12-11-14(7-10-16(12)21)20(17(27)26(2)19(24)25-20)13-5-8-15(9-6-13)28-18(22)23/h3-11,18H,1-2H3,(H2,24,25)/b4-3-
InChIKeyWBTJBBGLGRKVFF-ARJAWSKDSA-N
XLogP3.49
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.49
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)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one (CID 25125321) is 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one is C/C=C\c1cc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)ccc1F.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one?
The InChIKey is WBTJBBGLGRKVFF-ARJAWSKDSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-3-4-12-11-14(7-10-16(12)21)20(17(27)26(2)19(24)25-20)13-5-8-15(9-6-13)28-18(22)23/h3-11,18H,1-2H3,(H2,24,25)/b4-3-.
What are the key properties of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one?
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one has a molecular weight of 389.38 g/mol, XLogP of 3.49, 5 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)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 25125321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).