2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one

C17H16FN3O2 — CID 75358920

IUPAC2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1cccc(C2(Cc3ccc(F)cc3)N=C(N)NC2=O)c1
InChIInChI=1S/C17H16FN3O2/c1-23-14-4-2-3-12(9-14)17(15(22)20-16(19)21-17)10-11-5-7-13(18)8-6-11/h2-9H,10H2,1H3,(H3,19,20,21,22)
InChIKeyOOGVAPGNFXVZBH-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.72
Rot. Bonds4

About 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one

2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one (PubChem CID 75358920) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one
PubChem CID75358920
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1cccc(C2(Cc3ccc(F)cc3)N=C(N)NC2=O)c1
InChIInChI=1S/C17H16FN3O2/c1-23-14-4-2-3-12(9-14)17(15(22)20-16(19)21-17)10-11-5-7-13(18)8-6-11/h2-9H,10H2,1H3,(H3,19,20,21,22)
InChIKeyOOGVAPGNFXVZBH-UHFFFAOYSA-N
XLogP1.72
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one
CID 95655295
(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one
CID 95654799
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285682
2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one
CID 44530118
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
5-[3-(3-methoxyphenoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 21179556
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid
CID 44530234
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one (CID 75358920) is 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one is COc1cccc(C2(Cc3ccc(F)cc3)N=C(N)NC2=O)c1.
What is the InChIKey of 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one?
The InChIKey is OOGVAPGNFXVZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-23-14-4-2-3-12(9-14)17(15(22)20-16(19)21-17)10-11-5-7-13(18)8-6-11/h2-9H,10H2,1H3,(H3,19,20,21,22).
What are the key properties of 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one?
2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one has a molecular weight of 313.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 75358920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).