2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile

C17H19N3 — CID 116883116

IUPAC2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile
SMILESCCC(C#N)c1ncc(-c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C17H19N3/c1-2-12(10-18)17-19-11-16(20-17)15-8-7-13-5-3-4-6-14(13)9-15/h7-9,11-12H,2-6H2,1H3,(H,19,20)
InChIKeyKOYOSQGGZOGSEV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.97
Rot. Bonds3

About 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile

2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile (PubChem CID 116883116) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile.

Molecular Properties

Compound Name2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile
PubChem CID116883116
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile
SMILESCCC(C#N)c1ncc(-c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C17H19N3/c1-2-12(10-18)17-19-11-16(20-17)15-8-7-13-5-3-4-6-14(13)9-15/h7-9,11-12H,2-6H2,1H3,(H,19,20)
InChIKeyKOYOSQGGZOGSEV-UHFFFAOYSA-N
XLogP3.97
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile?
The IUPAC name of 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile (CID 116883116) is 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile.
What is the SMILES notation for 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile?
The canonical SMILES for 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile is CCC(C#N)c1ncc(-c2ccc3c(c2)CCCC3)[nH]1.
What is the InChIKey of 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile?
The InChIKey is KOYOSQGGZOGSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-12(10-18)17-19-11-16(20-17)15-8-7-13-5-3-4-6-14(13)9-15/h7-9,11-12H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile?
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile has a molecular weight of 265.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile is sourced from PubChem (CID 116883116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).