5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

C16H16N2S — CID 58466772

IUPAC5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
SMILESC1=NCC2(CCc3cccc(-c4cccs4)c3C2)N1
InChIInChI=1S/C16H16N2S/c1-3-12-6-7-16(10-17-11-18-16)9-14(12)13(4-1)15-5-2-8-19-15/h1-5,8,11H,6-7,9-10H2,(H,17,18)
InChIKeyTVOQOQWEGYMWTA-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.27
Rot. Bonds1

About 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 58466772) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
PubChem CID58466772
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
SMILESC1=NCC2(CCc3cccc(-c4cccs4)c3C2)N1
InChIInChI=1S/C16H16N2S/c1-3-12-6-7-16(10-17-11-18-16)9-14(12)13(4-1)15-5-2-8-19-15/h1-5,8,11H,6-7,9-10H2,(H,17,18)
InChIKeyTVOQOQWEGYMWTA-UHFFFAOYSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] (CID 58466772) is 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] is C1=NCC2(CCc3cccc(-c4cccs4)c3C2)N1.
What is the InChIKey of 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is TVOQOQWEGYMWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-3-12-6-7-16(10-17-11-18-16)9-14(12)13(4-1)15-5-2-8-19-15/h1-5,8,11H,6-7,9-10H2,(H,17,18).
What are the key properties of 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 268.38 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 58466772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).