2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone

C18H18N2O — CID 105100591

IUPAC2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H18N2O/c1-2-11-20-12-10-19-18(20)17(21)13-15-8-5-7-14-6-3-4-9-16(14)15/h3-10,12H,2,11,13H2,1H3
InChIKeyVYLIYYPHQOJZLG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.87
Rot. Bonds5

About 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone

2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone (PubChem CID 105100591) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
PubChem CID105100591
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H18N2O/c1-2-11-20-12-10-19-18(20)17(21)13-15-8-5-7-14-6-3-4-9-16(14)15/h3-10,12H,2,11,13H2,1H3
InChIKeyVYLIYYPHQOJZLG-UHFFFAOYSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100680
1-(2-methyl-1,2,4-triazol-3-yl)-2-naphthalen-1-ylethanone
CID 112744195
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114
1-naphthalen-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 62956328
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
1-(1-propylimidazol-2-yl)heptan-1-one
CID 114972716
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
CID 65129636
2-naphthalen-1-yl-1-(3-propyltriazol-4-yl)ethanone
CID 105129405

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone (CID 105100591) is 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone?
The InChIKey is VYLIYYPHQOJZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-11-20-12-10-19-18(20)17(21)13-15-8-5-7-14-6-3-4-9-16(14)15/h3-10,12H,2,11,13H2,1H3.
What are the key properties of 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone?
2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone has a molecular weight of 278.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 105100591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).