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

C17H12N2S — CID 71061461

IUPAC5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole
SMILESc1csc(-c2ncc(-c3cccc4ccccc34)[nH]2)c1
InChIInChI=1S/C17H12N2S/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-18-17(19-15)16-9-4-10-20-16/h1-11H,(H,18,19)
InChIKeyAFKHOXWOEQIUPN-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.96
Rot. Bonds2

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

5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole (PubChem CID 71061461) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole
PubChem CID71061461
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole
SMILESc1csc(-c2ncc(-c3cccc4ccccc34)[nH]2)c1
InChIInChI=1S/C17H12N2S/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-18-17(19-15)16-9-4-10-20-16/h1-11H,(H,18,19)
InChIKeyAFKHOXWOEQIUPN-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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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole?
The IUPAC name of 5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole (CID 71061461) is 5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole is c1csc(-c2ncc(-c3cccc4ccccc34)[nH]2)c1.
What is the InChIKey of 5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole?
The InChIKey is AFKHOXWOEQIUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-18-17(19-15)16-9-4-10-20-16/h1-11H,(H,18,19).
What are the key properties of 5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole?
5-naphthalen-1-yl-2-thiophen-2-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-2-yl-1H-imidazole is sourced from PubChem (CID 71061461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).