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

C17H19N3S — CID 58466637

IUPAC3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESCN1CC2(CCc3c(cccc3-c3ccsc3)C2)N=C1N
InChIInChI=1S/C17H19N3S/c1-20-11-17(19-16(20)18)7-5-15-12(9-17)3-2-4-14(15)13-6-8-21-10-13/h2-4,6,8,10H,5,7,9,11H2,1H3,(H2,18,19)
InChIKeyUQNTTZJCSCRHRX-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.90
Rot. Bonds1

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

3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (PubChem CID 58466637) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
PubChem CID58466637
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESCN1CC2(CCc3c(cccc3-c3ccsc3)C2)N=C1N
InChIInChI=1S/C17H19N3S/c1-20-11-17(19-16(20)18)7-5-15-12(9-17)3-2-4-14(15)13-6-8-21-10-13/h2-4,6,8,10H,5,7,9,11H2,1H3,(H2,18,19)
InChIKeyUQNTTZJCSCRHRX-UHFFFAOYSA-N
XLogP2.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (CID 58466637) is 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is CN1CC2(CCc3c(cccc3-c3ccsc3)C2)N=C1N.
What is the InChIKey of 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is UQNTTZJCSCRHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-20-11-17(19-16(20)18)7-5-15-12(9-17)3-2-4-14(15)13-6-8-21-10-13/h2-4,6,8,10H,5,7,9,11H2,1H3,(H2,18,19).
What are the key properties of 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 297.43 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 58466637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).