2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one

C20H17F2N3O3 — CID 25123322

IUPAC2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one
SMILESCc1cc2cc(C3(c4ccc(OC(F)F)cc4)N=C(N)N(C)C3=O)ccc2o1
InChIInChI=1S/C20H17F2N3O3/c1-11-9-12-10-14(5-8-16(12)27-11)20(17(26)25(2)19(23)24-20)13-3-6-15(7-4-13)28-18(21)22/h3-10,18H,1-2H3,(H2,23,24)
InChIKeyUROVHVXVRXQZSZ-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.37
Rot. Bonds4

About 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one

2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one (PubChem CID 25123322) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one
PubChem CID25123322
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one
SMILESCc1cc2cc(C3(c4ccc(OC(F)F)cc4)N=C(N)N(C)C3=O)ccc2o1
InChIInChI=1S/C20H17F2N3O3/c1-11-9-12-10-14(5-8-16(12)27-11)20(17(26)25(2)19(23)24-20)13-3-6-15(7-4-13)28-18(21)22/h3-10,18H,1-2H3,(H2,23,24)
InChIKeyUROVHVXVRXQZSZ-UHFFFAOYSA-N
XLogP3.37
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-propylphenyl)-1H-imidazol-5(4H)-one
CID 16038399
(R)-2-amino-4-(3-butylphenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 16113965
(S)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 25070195
(R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(3-methoxyprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 25072741
(R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(pent-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 25073049
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-pentylphenyl)-1H-imidazol-5(4H)-one
CID 52941021
(R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(5-methoxypent-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52943269
(R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-methoxybut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52944532
(R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(3-fluoroprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52949466
(R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-methoxyprop-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52950209
(4R)-2-amino-4-(3-(1,4-difluorobutyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52940973
(R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-fluorobut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52940974

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one (CID 25123322) is 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one is Cc1cc2cc(C3(c4ccc(OC(F)F)cc4)N=C(N)N(C)C3=O)ccc2o1.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one?
The InChIKey is UROVHVXVRXQZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-11-9-12-10-14(5-8-16(12)27-11)20(17(26)25(2)19(23)24-20)13-3-6-15(7-4-13)28-18(21)22/h3-10,18H,1-2H3,(H2,23,24).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one?
2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one has a molecular weight of 385.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methyl-1-benzofuran-5-yl)imidazol-4-one is sourced from PubChem (CID 25123322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).