(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

C102H105N17OS — CID 157102802

About (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (PubChem CID 157102802) has the molecular formula C102H105N17OS and a molecular weight of 1617.15 g/mol. Its IUPAC name is (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

Molecular Properties

• Compound Name: (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
• PubChem CID: 157102802
• Molecular Formula: C102H105N17OS
• Molecular Weight: 1617.15 g/mol
• Exact Mass: 1615.84
• IUPAC Name: (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
• SMILES: C1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=N[C@@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.C1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NC[C@]2(CCc3c(cccc3-c3cncnc3)C2)N1.CN1C=N[C@]2(CCc3c(cccc3-c3ccco3)C2)C1
• InChI: InChI=1S/2C17H18N4.2C17H17N3.C17H18N2O.C17H17NS/c2*1-12-20-10-17(21-12)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;2*1-3-13-9-17(6-2-8-20-17)7-5-16(13)15(4-1)14-10-18-12-19-11-14;1-19-11-17(18-12-19)8-7-14-13(10-17)4-2-5-15(14)16-6-3-9-20-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14/h2*2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);2*1,3-4,8,10-12H,2,5-7,9H2;2-6,9,12H,7-8,10-11H2,1H3;1,3-4,6,9-10,12H,2,5,7-8,11H2/t6*17-/m101000/s1
• InChIKey: AFYNLEFIQHWJSY-ARIHXOCRSA-N
• XLogP: 18.91
• TPSA: 217.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1617.15
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The IUPAC name of (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (CID 157102802) is (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

What is the SMILES notation for (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The canonical SMILES for (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is C1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=N[C@@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.C1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NC[C@]2(CCc3c(cccc3-c3cncnc3)C2)N1.CN1C=N[C@]2(CCc3c(cccc3-c3ccco3)C2)C1.

What is the InChIKey of (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The InChIKey is AFYNLEFIQHWJSY-ARIHXOCRSA-N. The full InChI is InChI=1S/2C17H18N4.2C17H17N3.C17H18N2O.C17H17NS/c2*1-12-20-10-17(21-12)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;2*1-3-13-9-17(6-2-8-20-17)7-5-16(13)15(4-1)14-10-18-12-19-11-14;1-19-11-17(18-12-19)8-7-14-13(10-17)4-2-5-15(14)16-6-3-9-20-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14/h2*2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);2*1,3-4,8,10-12H,2,5-7,9H2;2-6,9,12H,7-8,10-11H2,1H3;1,3-4,6,9-10,12H,2,5,7-8,11H2/t6*17-/m101000/s1.

What are the key properties of (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] has a molecular weight of 1617.15 g/mol, XLogP of 18.91, 6 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is sourced from PubChem (CID 157102802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).