2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one

C18H18F2N4O2 — CID 89028781

IUPAC2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one
SMILESCC1(c2cccc(-c3cccc(N)c3)c2)N=C(N)N(CC(O)(F)F)C1=O
InChIInChI=1S/C18H18F2N4O2/c1-17(15(25)24(16(22)23-17)10-18(19,20)26)13-6-2-4-11(8-13)12-5-3-7-14(21)9-12/h2-9,26H,10,21H2,1H3,(H2,22,23)
InChIKeyDIAGRKIKLZAARZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one

2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one (PubChem CID 89028781) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one
PubChem CID89028781
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one
SMILESCC1(c2cccc(-c3cccc(N)c3)c2)N=C(N)N(CC(O)(F)F)C1=O
InChIInChI=1S/C18H18F2N4O2/c1-17(15(25)24(16(22)23-17)10-18(19,20)26)13-6-2-4-11(8-13)12-5-3-7-14(21)9-12/h2-9,26H,10,21H2,1H3,(H2,22,23)
InChIKeyDIAGRKIKLZAARZ-UHFFFAOYSA-N
XLogP1.89
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
CID 59262451
4-amino-6-[3-(3-aminophenyl)phenyl]-3,6-dimethyl-1H-1,3,5-triazin-2-one
CID 70316871
2-amino-3-[[(3S)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-[3-(3-hydroxyphenyl)phenyl]-5-methylimidazol-4-one
CID 89247646
3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide
CID 59386902
2-amino-3-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-[3-(3-hydroxyphenyl)phenyl]-5-methylimidazol-4-one
CID 89247921
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(2-ethylpyrazol-3-yl)phenyl]-5-methylimidazol-4-one
CID 175264537
2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 59388372
2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;urea
CID 158068870
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-3-[[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 158169162
2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
CID 89015410
(5S)-2-amino-3-[[(3R)-1-benzylsulfonylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one
CID 70128104
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 25063751

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one (CID 89028781) is 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one is CC1(c2cccc(-c3cccc(N)c3)c2)N=C(N)N(CC(O)(F)F)C1=O.
What is the InChIKey of 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one?
The InChIKey is DIAGRKIKLZAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-17(15(25)24(16(22)23-17)10-18(19,20)26)13-6-2-4-11(8-13)12-5-3-7-14(21)9-12/h2-9,26H,10,21H2,1H3,(H2,22,23).
What are the key properties of 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one?
2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one has a molecular weight of 360.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-aminophenyl)phenyl]-3-(2,2-difluoro-2-hydroxyethyl)-5-methylimidazol-4-one is sourced from PubChem (CID 89028781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).