2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one

C16H15N3O — CID 82997789

IUPAC2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1cccc2ccccc12
InChIInChI=1S/C16H15N3O/c20-15-14(18-16(19-15)17-11-8-9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2,(H2,17,18,19,20)
InChIKeyNXWXWRUMEXQGPG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.12
Rot. Bonds2

About 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one

2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one (PubChem CID 82997789) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one
PubChem CID82997789
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1cccc2ccccc12
InChIInChI=1S/C16H15N3O/c20-15-14(18-16(19-15)17-11-8-9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2,(H2,17,18,19,20)
InChIKeyNXWXWRUMEXQGPG-UHFFFAOYSA-N
XLogP2.12
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one (CID 82997789) is 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1cccc2ccccc12.
What is the InChIKey of 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one?
The InChIKey is NXWXWRUMEXQGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-15-14(18-16(19-15)17-11-8-9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2,(H2,17,18,19,20).
What are the key properties of 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one?
2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one has a molecular weight of 265.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82997789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).