1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one

C13H17N3O2 — CID 80579177

IUPAC1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCCOc2ccc(N)cc2)c1=O
InChIInChI=1S/C13H17N3O2/c1-15-8-9-16(13(15)17)7-2-10-18-12-5-3-11(14)4-6-12/h3-6,8-9H,2,7,10,14H2,1H3
InChIKeyULYLBPISNSZWBP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.24
Rot. Bonds5

About 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one

1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one (PubChem CID 80579177) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one
PubChem CID80579177
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCCOc2ccc(N)cc2)c1=O
InChIInChI=1S/C13H17N3O2/c1-15-8-9-16(13(15)17)7-2-10-18-12-5-3-11(14)4-6-12/h3-6,8-9H,2,7,10,14H2,1H3
InChIKeyULYLBPISNSZWBP-UHFFFAOYSA-N
XLogP1.24
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
1-[3-(4-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147683
3-[3-(4-aminophenoxy)propyl]pyrimidin-4-one
CID 63768989
1-(4-methoxybutyl)-3-methylimidazol-2-one
CID 115773746
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090
1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione
CID 71722725
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
1-[3-(4-aminophenoxy)propyl]-3-methylimidazolidin-2-one
CID 55078835
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione
CID 61238081
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one (CID 80579177) is 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one is Cn1ccn(CCCOc2ccc(N)cc2)c1=O.
What is the InChIKey of 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one?
The InChIKey is ULYLBPISNSZWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-8-9-16(13(15)17)7-2-10-18-12-5-3-11(14)4-6-12/h3-6,8-9H,2,7,10,14H2,1H3.
What are the key properties of 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one?
1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80579177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).