2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol

C17H16F3N3O2 — CID 135219448

IUPAC2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol
SMILESCOc1ccc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2O)cc1F
InChIInChI=1S/C17H16F3N3O2/c1-23-15(24)17(22-16(23)21,10-5-11(18)8-12(19)6-10)9-3-4-14(25-2)13(20)7-9/h3-8,15,24H,1-2H3,(H2,21,22)
InChIKeyDNDXDGNPQXTFAT-UHFFFAOYSA-N
MW351.33 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol

2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol (PubChem CID 135219448) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol
PubChem CID135219448
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol
SMILESCOc1ccc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2O)cc1F
InChIInChI=1S/C17H16F3N3O2/c1-23-15(24)17(22-16(23)21,10-5-11(18)8-12(19)6-10)9-3-4-14(25-2)13(20)7-9/h3-8,15,24H,1-2H3,(H2,21,22)
InChIKeyDNDXDGNPQXTFAT-UHFFFAOYSA-N
XLogP1.93
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(8r)-8-[4-(Difluoromethoxy)phenyl]-3,3-Difluoro-8-[3-(3-Methoxyprop-1-Yn-1-Yl)phenyl]-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
CID 57400038
(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,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-methoxyprop-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52950209
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-hydroxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52943302
(R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(5-hydroxypent-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52944109
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-hydroxyhex-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52944682
(R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-hydroxybut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 52946915
8-[4-(Difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(4-methoxybut-1-ynyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 57394837
8-(3-Propylphenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11683112
1-cyano-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 172764535
US11142505, Fah-12
CID 78321279

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol?
The IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol (CID 135219448) is 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol.
What is the SMILES notation for 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol?
The canonical SMILES for 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol is COc1ccc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2O)cc1F.
What is the InChIKey of 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol?
The InChIKey is DNDXDGNPQXTFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-23-15(24)17(22-16(23)21,10-5-11(18)8-12(19)6-10)9-3-4-14(25-2)13(20)7-9/h3-8,15,24H,1-2H3,(H2,21,22).
What are the key properties of 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol?
2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol has a molecular weight of 351.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-4-ol is sourced from PubChem (CID 135219448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).