(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

C17H18N2S — CID 58466791

IUPAC(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
SMILESCC1=NC[C@@]2(CCc3c(cccc3-c3ccsc3)C2)N1
InChIInChI=1S/C17H18N2S/c1-12-18-11-17(19-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-20-10-14/h2-4,6,8,10H,5,7,9,11H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyASQQJNSXSKAVRJ-KRWDZBQOSA-N
MW282.41 g/mol
LogP3.66
Rot. Bonds1

About (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 58466791) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
PubChem CID58466791
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
SMILESCC1=NC[C@@]2(CCc3c(cccc3-c3ccsc3)C2)N1
InChIInChI=1S/C17H18N2S/c1-12-18-11-17(19-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-20-10-14/h2-4,6,8,10H,5,7,9,11H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyASQQJNSXSKAVRJ-KRWDZBQOSA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] (CID 58466791) is (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] is CC1=NC[C@@]2(CCc3c(cccc3-c3ccsc3)C2)N1.
What is the InChIKey of (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is ASQQJNSXSKAVRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-18-11-17(19-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-20-10-14/h2-4,6,8,10H,5,7,9,11H2,1H3,(H,18,19)/t17-/m0/s1.
What are the key properties of (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 282.41 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 58466791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).