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

C68H76N16OS — CID 158623271

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

(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (PubChem CID 158623271) has the molecular formula C68H76N16OS and a molecular weight of 1165.53 g/mol. Its IUPAC name is (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

• Compound Name: (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
• PubChem CID: 158623271
• Molecular Formula: C68H76N16OS
• Molecular Weight: 1165.53 g/mol
• Exact Mass: 1164.61
• IUPAC Name: (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
• SMILES: CN1C[C@@]2(CCc3c(cccc3-c3ccco3)C2)N=C1N.CN1C[C@@]2(CCc3c(cccc3-c3ccsc3)C2)N=C1N.CN1C[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N=C1N.CN1C[C@]2(CCc3c(cccc3-c3cncnc3)C2)N=C1N
• InChI: InChI=1S/2C17H19N5.C17H19N3O.C17H19N3S/c2*1-22-10-17(21-16(22)18)6-5-15-12(7-17)3-2-4-14(15)13-8-19-11-20-9-13;1-20-11-17(19-16(20)18)8-7-13-12(10-17)4-2-5-14(13)15-6-3-9-21-15;1-20-11-17(19-16(20)18)7-5-15-12(9-17)3-2-4-14(15)13-6-8-21-10-13/h2*2-4,8-9,11H,5-7,10H2,1H3,(H2,18,21);2-6,9H,7-8,10-11H2,1H3,(H2,18,19);2-4,6,8,10H,5,7,9,11H2,1H3,(H2,18,19)/t4*17-/m1000/s1
• InChIKey: HYGOQUGEKXBVMS-BYXNXHRPSA-N
• XLogP: 8.60
• TPSA: 231.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1165.53
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?

The IUPAC name of (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (CID 158623271) is (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.

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

The canonical SMILES for (3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is CN1C[C@@]2(CCc3c(cccc3-c3ccco3)C2)N=C1N.CN1C[C@@]2(CCc3c(cccc3-c3ccsc3)C2)N=C1N.CN1C[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N=C1N.CN1C[C@]2(CCc3c(cccc3-c3cncnc3)C2)N=C1N.

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

The InChIKey is HYGOQUGEKXBVMS-BYXNXHRPSA-N. The full InChI is InChI=1S/2C17H19N5.C17H19N3O.C17H19N3S/c2*1-22-10-17(21-16(22)18)6-5-15-12(7-17)3-2-4-14(15)13-8-19-11-20-9-13;1-20-11-17(19-16(20)18)8-7-13-12(10-17)4-2-5-14(13)15-6-3-9-21-15;1-20-11-17(19-16(20)18)7-5-15-12(9-17)3-2-4-14(15)13-6-8-21-10-13/h2*2-4,8-9,11H,5-7,10H2,1H3,(H2,18,21);2-6,9H,7-8,10-11H2,1H3,(H2,18,19);2-4,6,8,10H,5,7,9,11H2,1H3,(H2,18,19)/t4*17-/m1000/s1.

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

(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 1165.53 g/mol, XLogP of 8.60, 4 rotatable bonds, 4 hydrogen bond donors, and 18 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]-2'-amine;(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;(3S)-3'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 158623271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).