2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile

C17H15N3 — CID 116883197

IUPAC2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile
SMILESCCC(C#N)c1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C17H15N3/c1-2-12(10-18)17-19-11-16(20-17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,2H2,1H3,(H,19,20)
InChIKeyXGCLQEMWPHPMQY-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.25
Rot. Bonds3

About 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile

2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile (PubChem CID 116883197) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile.

Molecular Properties

Compound Name2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile
PubChem CID116883197
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile
SMILESCCC(C#N)c1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C17H15N3/c1-2-12(10-18)17-19-11-16(20-17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,2H2,1H3,(H,19,20)
InChIKeyXGCLQEMWPHPMQY-UHFFFAOYSA-N
XLogP4.25
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile?
The IUPAC name of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile (CID 116883197) is 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile.
What is the SMILES notation for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile?
The canonical SMILES for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile is CCC(C#N)c1ncc(-c2cccc3ccccc23)[nH]1.
What is the InChIKey of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile?
The InChIKey is XGCLQEMWPHPMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-12(10-18)17-19-11-16(20-17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,2H2,1H3,(H,19,20).
What are the key properties of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile?
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile has a molecular weight of 261.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile is sourced from PubChem (CID 116883197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).