(4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one

C10H9F2N3O2 — CID 70822469

IUPAC(4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one
SMILESNC1=N[C@H](c2cccc(OC(F)F)c2)C(=O)N1
InChIInChI=1S/C10H9F2N3O2/c11-9(12)17-6-3-1-2-5(4-6)7-8(16)15-10(13)14-7/h1-4,7,9H,(H3,13,14,15,16)/t7-/m1/s1
InChIKeyZCGVKWMXMXPXAZ-SSDOTTSWSA-N
MW241.20 g/mol
LogP0.77
Rot. Bonds3

About (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one

(4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one (PubChem CID 70822469) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one
PubChem CID70822469
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one
SMILESNC1=N[C@H](c2cccc(OC(F)F)c2)C(=O)N1
InChIInChI=1S/C10H9F2N3O2/c11-9(12)17-6-3-1-2-5(4-6)7-8(16)15-10(13)14-7/h1-4,7,9H,(H3,13,14,15,16)/t7-/m1/s1
InChIKeyZCGVKWMXMXPXAZ-SSDOTTSWSA-N
XLogP0.77
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
CID 55264090
5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine
CID 138059224
2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one
CID 82996970
[5,7-diamino-6-cyano-4-[3-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378767
4-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one
CID 112758289
(4S)-4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 97266022
CID 171643489
CID 171643489
1-[3-(difluoromethoxy)phenyl]thian-1-ium-4-one
CID 164728406
[3-(difluoromethoxy)phenyl]-diphenylsulfanium
CID 176874096
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
3-amino-2-[3-(difluoromethoxy)phenyl]-5-methylcyclopent-2-en-1-one
CID 22153100

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one (CID 70822469) is (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one is NC1=N[C@H](c2cccc(OC(F)F)c2)C(=O)N1.
What is the InChIKey of (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one?
The InChIKey is ZCGVKWMXMXPXAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-9(12)17-6-3-1-2-5(4-6)7-8(16)15-10(13)14-7/h1-4,7,9H,(H3,13,14,15,16)/t7-/m1/s1.
What are the key properties of (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one?
(4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one has a molecular weight of 241.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-[3-(difluoromethoxy)phenyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 70822469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).