1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one

C16H18N2O3 — CID 137399955

IUPAC1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one
SMILESCOc1c(OCCN2CCNC2=O)ccc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-20-15-13-5-3-2-4-12(13)6-7-14(15)21-11-10-18-9-8-17-16(18)19/h2-7H,8-11H2,1H3,(H,17,19)
InChIKeyPUPCJALCAUJOEC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.25
Rot. Bonds5

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

1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one (PubChem CID 137399955) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one
PubChem CID137399955
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one
SMILESCOc1c(OCCN2CCNC2=O)ccc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-20-15-13-5-3-2-4-12(13)6-7-14(15)21-11-10-18-9-8-17-16(18)19/h2-7H,8-11H2,1H3,(H,17,19)
InChIKeyPUPCJALCAUJOEC-UHFFFAOYSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one (CID 137399955) is 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one is COc1c(OCCN2CCNC2=O)ccc2ccccc12.
What is the InChIKey of 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one?
The InChIKey is PUPCJALCAUJOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-15-13-5-3-2-4-12(13)6-7-14(15)21-11-10-18-9-8-17-16(18)19/h2-7H,8-11H2,1H3,(H,17,19).
What are the key properties of 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one?
1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one has a molecular weight of 286.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 137399955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).