(5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one

C20H18F5N3O3 — CID 25069561

IUPAC(5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one
SMILESCc1cc([C@]2(c3ccc(F)c(OCC(F)F)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H18F5N3O3/c1-10-7-11(4-6-14(10)31-18(24)25)20(17(29)28(2)19(26)27-20)12-3-5-13(21)15(8-12)30-9-16(22)23/h3-8,16,18H,9H2,1-2H3,(H2,26,27)/t20-/m1/s1
InChIKeyWADUKYMEQUUKLV-HXUWFJFHSA-N
MW443.37 g/mol
LogP3.41
Rot. Bonds7

About (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one

(5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one (PubChem CID 25069561) has the molecular formula C20H18F5N3O3 and a molecular weight of 443.37 g/mol. Its IUPAC name is (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one
PubChem CID25069561
Molecular FormulaC20H18F5N3O3
Molecular Weight443.37 g/mol
Exact Mass443.13
IUPAC Name(5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one
SMILESCc1cc([C@]2(c3ccc(F)c(OCC(F)F)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H18F5N3O3/c1-10-7-11(4-6-14(10)31-18(24)25)20(17(29)28(2)19(26)27-20)12-3-5-13(21)15(8-12)30-9-16(22)23/h3-8,16,18H,9H2,1-2H3,(H2,26,27)/t20-/m1/s1
InChIKeyWADUKYMEQUUKLV-HXUWFJFHSA-N
XLogP3.41
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one (CID 25069561) is (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one is Cc1cc([C@]2(c3ccc(F)c(OCC(F)F)c3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one?
The InChIKey is WADUKYMEQUUKLV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18F5N3O3/c1-10-7-11(4-6-14(10)31-18(24)25)20(17(29)28(2)19(26)27-20)12-3-5-13(21)15(8-12)30-9-16(22)23/h3-8,16,18H,9H2,1-2H3,(H2,26,27)/t20-/m1/s1.
What are the key properties of (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one?
(5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one has a molecular weight of 443.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 25069561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).