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

C16H17N3O — CID 79960476

IUPAC5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cccc2ccccc12
InChIInChI=1S/C16H17N3O/c1-2-10-19-14(15(17)18-16(19)20)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3,(H2,17,18,20)
InChIKeyZUUBVNNZWZLDRE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.08
Rot. Bonds3

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

5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one (PubChem CID 79960476) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one
PubChem CID79960476
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cccc2ccccc12
InChIInChI=1S/C16H17N3O/c1-2-10-19-14(15(17)18-16(19)20)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3,(H2,17,18,20)
InChIKeyZUUBVNNZWZLDRE-UHFFFAOYSA-N
XLogP3.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-4-naphthalen-2-yl-3-propyl-4H-imidazol-2-one
CID 79961605
5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one
CID 104505449
5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one
CID 79960240
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
3-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)benzonitrile
CID 79961947
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one
CID 104824163
5-amino-3-propyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-imidazol-2-one
CID 79961779
5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
CID 79959888
5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one
CID 113469934

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one (CID 79960476) is 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1cccc2ccccc12.
What is the InChIKey of 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one?
The InChIKey is ZUUBVNNZWZLDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-10-19-14(15(17)18-16(19)20)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3,(H2,17,18,20).
What are the key properties of 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one?
5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).