5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one

C13H14FN3O2 — CID 107693892

IUPAC5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1ccc(O)c(F)c1
InChIInChI=1S/C13H14FN3O2/c14-9-5-8(3-4-10(9)18)11-12(15)16-13(19)17(11)6-7-1-2-7/h3-5,7,11,18H,1-2,6H2,(H2,15,16,19)
InChIKeyAGVFZDWWVUCRGO-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.78
Rot. Bonds3

About 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one

5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one (PubChem CID 107693892) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
PubChem CID107693892
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1ccc(O)c(F)c1
InChIInChI=1S/C13H14FN3O2/c14-9-5-8(3-4-10(9)18)11-12(15)16-13(19)17(11)6-7-1-2-7/h3-5,7,11,18H,1-2,6H2,(H2,15,16,19)
InChIKeyAGVFZDWWVUCRGO-UHFFFAOYSA-N
XLogP1.78
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-Fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 71011101
2-cyclopropyl-N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982712
2-cyclopropyl-N-[(1R)-1-(2-fluoro-4-hydroxyphenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982714
2-(3,5-Difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
CID 170593007
4-Amino-2-(4-hydroxyphenyl)-1,2-dihydroimidazol-5-one
CID 91092935
6-(4-Hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione
CID 91541128
5-amino-3-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79959636
5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one
CID 79959721
5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one
CID 79960062
5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79960131
5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one
CID 79960284
5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79960823

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one (CID 107693892) is 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one is NC1=NC(=O)N(CC2CC2)C1c1ccc(O)c(F)c1.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one?
The InChIKey is AGVFZDWWVUCRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-5-8(3-4-10(9)18)11-12(15)16-13(19)17(11)6-7-1-2-7/h3-5,7,11,18H,1-2,6H2,(H2,15,16,19).
What are the key properties of 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one?
5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one has a molecular weight of 263.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 107693892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).