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

C15H15N3 — CID 130296779

IUPAC2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile
SMILESN#CCc1cnc(-c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C15H15N3/c16-8-7-14-10-17-15(18-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7H2,(H,17,18)
InChIKeyIWQYRWBVLKOSST-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.02
Rot. Bonds2

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

2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile (PubChem CID 130296779) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile
PubChem CID130296779
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile
SMILESN#CCc1cnc(-c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C15H15N3/c16-8-7-14-10-17-15(18-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7H2,(H,17,18)
InChIKeyIWQYRWBVLKOSST-UHFFFAOYSA-N
XLogP3.02
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,4-dimethylphenyl)-1H-imidazol-5-yl]acetonitrile
CID 130296755
2-[2-(3-bromophenyl)-1H-imidazol-5-yl]acetonitrile
CID 82380050
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883116
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
CID 116901099
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
CID 116879281
6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile
CID 82114384
[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]methanethiol
CID 116879138
2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
CID 71653256
methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide
CID 116977818
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
2-(2-methyl-1H-imidazol-5-yl)acetonitrile
CID 22359359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile (CID 130296779) is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile is N#CCc1cnc(-c2ccc3c(c2)CCCC3)[nH]1.
What is the InChIKey of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile?
The InChIKey is IWQYRWBVLKOSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-8-7-14-10-17-15(18-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7H2,(H,17,18).
What are the key properties of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile?
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]acetonitrile is sourced from PubChem (CID 130296779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).