(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one

C20H17F2N3O2 — CID 52942848

IUPAC(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one
SMILESCC#Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1
InChIKeyRIIMHERUTFJZHJ-HXUWFJFHSA-N
MW369.37 g/mol
LogP2.69
Rot. Bonds4

About (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one (PubChem CID 52942848) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one
PubChem CID52942848
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one
SMILESCC#Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1
InChIKeyRIIMHERUTFJZHJ-HXUWFJFHSA-N
XLogP2.69
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one (CID 52942848) is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one is CC#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-prop-1-ynylphenyl)imidazol-4-one?
The InChIKey is RIIMHERUTFJZHJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1.
What are the key properties of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one?
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-prop-1-ynylphenyl)imidazol-4-one has a molecular weight of 369.37 g/mol, XLogP of 2.69, 4 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-prop-1-ynylphenyl)imidazol-4-one is sourced from PubChem (CID 52942848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).