2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one

C20H21N3O — CID 16750320

IUPAC2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc3c(c2)CCCC3)N=C1N
InChIInChI=1S/C20H21N3O/c1-23-18(24)20(22-19(23)21,16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17/h2-4,9-13H,5-8H2,1H3,(H2,21,22)
InChIKeyNUDVHICGWAFZDL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.60
Rot. Bonds2

About 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one

2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one (PubChem CID 16750320) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one
PubChem CID16750320
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc3c(c2)CCCC3)N=C1N
InChIInChI=1S/C20H21N3O/c1-23-18(24)20(22-19(23)21,16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17/h2-4,9-13H,5-8H2,1H3,(H2,21,22)
InChIKeyNUDVHICGWAFZDL-UHFFFAOYSA-N
XLogP2.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one (CID 16750320) is 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one is CN1C(=O)C(c2ccccc2)(c2ccc3c(c2)CCCC3)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one?
The InChIKey is NUDVHICGWAFZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23-18(24)20(22-19(23)21,16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17/h2-4,9-13H,5-8H2,1H3,(H2,21,22).
What are the key properties of 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one?
2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one has a molecular weight of 319.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one is sourced from PubChem (CID 16750320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).