5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one

C15H15N3O — CID 79961258

IUPAC5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1cccc2ccccc12
InChIInChI=1S/C15H15N3O/c1-2-18-13(14(16)17-15(18)19)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3,(H2,16,17,19)
InChIKeyDNRXQYIASSYIAT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.69
Rot. Bonds2

About 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one

5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one (PubChem CID 79961258) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
PubChem CID79961258
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1cccc2ccccc12
InChIInChI=1S/C15H15N3O/c1-2-18-13(14(16)17-15(18)19)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3,(H2,16,17,19)
InChIKeyDNRXQYIASSYIAT-UHFFFAOYSA-N
XLogP2.69
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one (CID 79961258) is 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1cccc2ccccc12.
What is the InChIKey of 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one?
The InChIKey is DNRXQYIASSYIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-18-13(14(16)17-15(18)19)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3,(H2,16,17,19).
What are the key properties of 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one?
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one is sourced from PubChem (CID 79961258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).