2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]

C18H20N2S — CID 70228450

IUPAC2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
SMILESCC1=NC2(CCc3c(cccc3-c3ccsc3)C2)CN1C
InChIInChI=1S/C18H20N2S/c1-13-19-18(12-20(13)2)8-6-17-14(10-18)4-3-5-16(17)15-7-9-21-11-15/h3-5,7,9,11H,6,8,10,12H2,1-2H3
InChIKeyQCRWNWUKZMAFCS-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.01
Rot. Bonds1

About 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]

2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] (PubChem CID 70228450) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole].

Molecular Properties

Compound Name2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
PubChem CID70228450
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
SMILESCC1=NC2(CCc3c(cccc3-c3ccsc3)C2)CN1C
InChIInChI=1S/C18H20N2S/c1-13-19-18(12-20(13)2)8-6-17-14(10-18)4-3-5-16(17)15-7-9-21-11-15/h3-5,7,9,11H,6,8,10,12H2,1-2H3
InChIKeyQCRWNWUKZMAFCS-UHFFFAOYSA-N
XLogP4.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]?
The IUPAC name of 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] (CID 70228450) is 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole].
What is the SMILES notation for 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]?
The canonical SMILES for 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] is CC1=NC2(CCc3c(cccc3-c3ccsc3)C2)CN1C.
What is the InChIKey of 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]?
The InChIKey is QCRWNWUKZMAFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-13-19-18(12-20(13)2)8-6-17-14(10-18)4-3-5-16(17)15-7-9-21-11-15/h3-5,7,9,11H,6,8,10,12H2,1-2H3.
What are the key properties of 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]?
2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] has a molecular weight of 296.44 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] is sourced from PubChem (CID 70228450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).