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

C20H21F2N3O2 — CID 25071168

IUPAC2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCCCc1cc(C2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H21F2N3O2/c1-3-7-13-12-15(10-11-16(13)27-18(21)22)20(14-8-5-4-6-9-14)17(26)25(2)19(23)24-20/h4-6,8-12,18H,3,7H2,1-2H3,(H2,23,24)
InChIKeyZICAKSUPNLAQNK-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.27
Rot. Bonds6

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

2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 25071168) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID25071168
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCCCc1cc(C2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H21F2N3O2/c1-3-7-13-12-15(10-11-16(13)27-18(21)22)20(14-8-5-4-6-9-14)17(26)25(2)19(23)24-20/h4-6,8-12,18H,3,7H2,1-2H3,(H2,23,24)
InChIKeyZICAKSUPNLAQNK-UHFFFAOYSA-N
XLogP3.27
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.27
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)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one (CID 25071168) is 2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one is CCCc1cc(C2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is ZICAKSUPNLAQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-3-7-13-12-15(10-11-16(13)27-18(21)22)20(14-8-5-4-6-9-14)17(26)25(2)19(23)24-20/h4-6,8-12,18H,3,7H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 373.40 g/mol, XLogP of 3.27, 6 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)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 25071168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).