1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one

C16H19N3O2 — CID 43505471

IUPAC1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one
SMILESNCc1c(OCCN2CCNC2=O)ccc2ccccc12
InChIInChI=1S/C16H19N3O2/c17-11-14-13-4-2-1-3-12(13)5-6-15(14)21-10-9-19-8-7-18-16(19)20/h1-6H,7-11,17H2,(H,18,20)
InChIKeyYSSILRQPMFSQOS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.70
Rot. Bonds5

About 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one

1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one (PubChem CID 43505471) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one
PubChem CID43505471
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one
SMILESNCc1c(OCCN2CCNC2=O)ccc2ccccc12
InChIInChI=1S/C16H19N3O2/c17-11-14-13-4-2-1-3-12(13)5-6-15(14)21-10-9-19-8-7-18-16(19)20/h1-6H,7-11,17H2,(H,18,20)
InChIKeyYSSILRQPMFSQOS-UHFFFAOYSA-N
XLogP1.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one
CID 137399955
3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 107077632
1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
CID 28967044
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307
1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459
1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28981461
1-[2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]ethyl]imidazolidin-2-one
CID 79151657
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 43505486
1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one
CID 43472113
1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one
CID 82008405
5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62104427

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one (CID 43505471) is 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one is NCc1c(OCCN2CCNC2=O)ccc2ccccc12.
What is the InChIKey of 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one?
The InChIKey is YSSILRQPMFSQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-11-14-13-4-2-1-3-12(13)5-6-15(14)21-10-9-19-8-7-18-16(19)20/h1-6H,7-11,17H2,(H,18,20).
What are the key properties of 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one?
1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 43505471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).