2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one

C14H18FN3O — CID 82998196

IUPAC2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one
SMILESCc1cc(F)ccc1C1N=C(NC(C)(C)C)NC1=O
InChIInChI=1S/C14H18FN3O/c1-8-7-9(15)5-6-10(8)11-12(19)17-13(16-11)18-14(2,3)4/h5-7,11H,1-4H3,(H2,16,17,18,19)
InChIKeyZTJZDXHGQKGOKY-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.05
Rot. Bonds1

About 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one

2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82998196) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one
PubChem CID82998196
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one
SMILESCc1cc(F)ccc1C1N=C(NC(C)(C)C)NC1=O
InChIInChI=1S/C14H18FN3O/c1-8-7-9(15)5-6-10(8)11-12(19)17-13(16-11)18-14(2,3)4/h5-7,11H,1-4H3,(H2,16,17,18,19)
InChIKeyZTJZDXHGQKGOKY-UHFFFAOYSA-N
XLogP2.05
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one (CID 82998196) is 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one is Cc1cc(F)ccc1C1N=C(NC(C)(C)C)NC1=O.
What is the InChIKey of 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is ZTJZDXHGQKGOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8-7-9(15)5-6-10(8)11-12(19)17-13(16-11)18-14(2,3)4/h5-7,11H,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one?
2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 263.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-(4-fluoro-2-methylphenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).