(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one

C22H25F2N3O2 — CID 52942210

IUPAC(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one
SMILESCCC(C)Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H25F2N3O2/c1-4-14(2)12-15-6-5-7-17(13-15)22(19(28)27(3)21(25)26-22)16-8-10-18(11-9-16)29-20(23)24/h5-11,13-14,20H,4,12H2,1-3H3,(H2,25,26)/t14?,22-/m1/s1
InChIKeyQAQMQLZJRPSYPZ-PSRIUPCASA-N
MW401.46 g/mol
LogP3.91
Rot. Bonds7

About (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one (PubChem CID 52942210) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one
PubChem CID52942210
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one
SMILESCCC(C)Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H25F2N3O2/c1-4-14(2)12-15-6-5-7-17(13-15)22(19(28)27(3)21(25)26-22)16-8-10-18(11-9-16)29-20(23)24/h5-11,13-14,20H,4,12H2,1-3H3,(H2,25,26)/t14?,22-/m1/s1
InChIKeyQAQMQLZJRPSYPZ-PSRIUPCASA-N
XLogP3.91
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one (CID 52942210) is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one is CCC(C)Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one?
The InChIKey is QAQMQLZJRPSYPZ-PSRIUPCASA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-4-14(2)12-15-6-5-7-17(13-15)22(19(28)27(3)21(25)26-22)16-8-10-18(11-9-16)29-20(23)24/h5-11,13-14,20H,4,12H2,1-3H3,(H2,25,26)/t14?,22-/m1/s1.
What are the key properties of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one?
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one has a molecular weight of 401.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbutyl)phenyl]imidazol-4-one is sourced from PubChem (CID 52942210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).