5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole

C17H12N2S — CID 71062081

IUPAC5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole
SMILESc1ccc2c(-c3cnc(-c4ccsc4)[nH]3)cccc2c1
InChIInChI=1S/C17H12N2S/c1-2-6-14-12(4-1)5-3-7-15(14)16-10-18-17(19-16)13-8-9-20-11-13/h1-11H,(H,18,19)
InChIKeyPHHUINBXRSUGAI-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.96
Rot. Bonds2

About 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole

5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole (PubChem CID 71062081) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole
PubChem CID71062081
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole
SMILESc1ccc2c(-c3cnc(-c4ccsc4)[nH]3)cccc2c1
InChIInChI=1S/C17H12N2S/c1-2-6-14-12(4-1)5-3-7-15(14)16-10-18-17(19-16)13-8-9-20-11-13/h1-11H,(H,18,19)
InChIKeyPHHUINBXRSUGAI-UHFFFAOYSA-N
XLogP4.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile
CID 116880096
2-(2-naphthalen-1-yl-1H-imidazol-5-yl)pyridine
CID 66821193
2-phenanthren-1-yl-5-phenyl-1H-imidazole
CID 174638740
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
CID 116879955
2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole
CID 116877500
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol
CID 116879370
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile
CID 116883197
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)propan-2-ol
CID 116881443
5-(2,3-dimethoxyphenyl)-2-phenyl-1H-imidazole;hydrochloride
CID 56926255
1-(5-naphthalen-1-yl-1H-imidazol-2-yl)cyclopentan-1-amine
CID 60854451
5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine
CID 43651211
5-methyl-2,4-dithiophen-2-yl-1H-imidazole;5-methyl-2-phenyl-4-thiophen-2-yl-1H-imidazole;2-phenyl-5-thiophen-3-yl-1H-imidazole
CID 158507989

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole?
The IUPAC name of 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole (CID 71062081) is 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole.
What is the SMILES notation for 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole?
The canonical SMILES for 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole is c1ccc2c(-c3cnc(-c4ccsc4)[nH]3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole?
The InChIKey is PHHUINBXRSUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-2-6-14-12(4-1)5-3-7-15(14)16-10-18-17(19-16)13-8-9-20-11-13/h1-11H,(H,18,19).
What are the key properties of 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole?
5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole has a molecular weight of 276.36 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole is sourced from PubChem (CID 71062081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).