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

C16H17N3S — CID 58466774

IUPAC6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
SMILESNC1=NCC2(CCc3ccc(-c4cccs4)cc3C2)N1
InChIInChI=1S/C16H17N3S/c17-15-18-10-16(19-15)6-5-11-3-4-12(8-13(11)9-16)14-2-1-7-20-14/h1-4,7-8H,5-6,9-10H2,(H3,17,18,19)
InChIKeyXTYOSKDXDLIOKU-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.56
Rot. Bonds1

About 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine

6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine (PubChem CID 58466774) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine.

Molecular Properties

Compound Name6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
PubChem CID58466774
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
SMILESNC1=NCC2(CCc3ccc(-c4cccs4)cc3C2)N1
InChIInChI=1S/C16H17N3S/c17-15-18-10-16(19-15)6-5-11-3-4-12(8-13(11)9-16)14-2-1-7-20-14/h1-4,7-8H,5-6,9-10H2,(H3,17,18,19)
InChIKeyXTYOSKDXDLIOKU-UHFFFAOYSA-N
XLogP2.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine?
The IUPAC name of 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine (CID 58466774) is 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine.
What is the SMILES notation for 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine?
The canonical SMILES for 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine is NC1=NCC2(CCc3ccc(-c4cccs4)cc3C2)N1.
What is the InChIKey of 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine?
The InChIKey is XTYOSKDXDLIOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-15-18-10-16(19-15)6-5-11-3-4-12(8-13(11)9-16)14-2-1-7-20-14/h1-4,7-8H,5-6,9-10H2,(H3,17,18,19).
What are the key properties of 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine?
6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine has a molecular weight of 283.40 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine is sourced from PubChem (CID 58466774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).