3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one

C13H17N3O2 — CID 62536822

IUPAC3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one
SMILESCOCC(C)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-10(9-18-2)15-11-3-5-12(6-4-11)16-8-7-14-13(16)17/h3-8,10,15H,9H2,1-2H3,(H,14,17)
InChIKeyHZGVYMHKORMYNS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.61
Rot. Bonds5

About 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one

3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one (PubChem CID 62536822) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one
PubChem CID62536822
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one
SMILESCOCC(C)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-10(9-18-2)15-11-3-5-12(6-4-11)16-8-7-14-13(16)17/h3-8,10,15H,9H2,1-2H3,(H,14,17)
InChIKeyHZGVYMHKORMYNS-UHFFFAOYSA-N
XLogP1.61
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one
CID 60934772
2-methoxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]acetamide
CID 47265723
3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one
CID 64918633
(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide
CID 61174783
3-[4-[2-(tert-butylamino)ethylamino]phenyl]-1H-imidazol-2-one
CID 107445375
1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one
CID 62345288
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 62534120
N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one (CID 62536822) is 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one is COCC(C)Nc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one?
The InChIKey is HZGVYMHKORMYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(9-18-2)15-11-3-5-12(6-4-11)16-8-7-14-13(16)17/h3-8,10,15H,9H2,1-2H3,(H,14,17).
What are the key properties of 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one?
3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 62536822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).