(5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one

C18H17F2N3O2 — CID 25070195

IUPAC(5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCc1cc([C@]2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C18H17F2N3O2/c1-11-10-13(8-9-14(11)25-16(19)20)18(12-6-4-3-5-7-12)15(24)23(2)17(21)22-18/h3-10,16H,1-2H3,(H2,21,22)/t18-/m0/s1
InChIKeyDIBLNVRMNVPDAB-SFHVURJKSA-N
MW345.35 g/mol
LogP2.63
Rot. Bonds4

About (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one

(5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 25070195) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name(5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID25070195
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name(5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCc1cc([C@]2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C18H17F2N3O2/c1-11-10-13(8-9-14(11)25-16(19)20)18(12-6-4-3-5-7-12)15(24)23(2)17(21)22-18/h3-10,16H,1-2H3,(H2,21,22)/t18-/m0/s1
InChIKeyDIBLNVRMNVPDAB-SFHVURJKSA-N
XLogP2.63
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one (CID 25070195) is (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one is Cc1cc([C@]2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is DIBLNVRMNVPDAB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-11-10-13(8-9-14(11)25-16(19)20)18(12-6-4-3-5-7-12)15(24)23(2)17(21)22-18/h3-10,16H,1-2H3,(H2,21,22)/t18-/m0/s1.
What are the key properties of (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one?
(5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 345.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 25070195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).