1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline

C161H230F4N30O6 — CID 158317941

About 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline

1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 158317941) has the molecular formula C161H230F4N30O6 and a molecular weight of 2757.81 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline
• PubChem CID: 158317941
• Molecular Formula: C161H230F4N30O6
• Molecular Weight: 2757.81 g/mol
• Exact Mass: 2755.86
• IUPAC Name: 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline
• SMILES: CC(C)c1nccn1C.CCc1ncc[nH]1.CCc1nccn1C.CCc1nccn1C1CC1.COc1cnc2c(c1)CCC[C@@H]2C.COc1cnc2c(c1)CCC[C@@H]2C.C[C@H]1CCC2(CC2)n2ccnc21.C[C@H]1CCCCn2ccnc21.C[C@H]1CCCCn2ccnc21.C[C@H]1CCCc2cc(F)cnc21.C[C@H]1CCCc2cc(OC(F)(F)F)cnc21.C[C@H]1CCCn2ccnc21.C[C@H]1CCCn2ccnc21.C[C@H]1COCC2(CC2)n2ccnc21.C[C@H]1COCCn2ccnc21.C[C@H]1COCCn2ccnc21.Cc1cnc2c(c1)CCC[C@@H]2C.Cc1cnc2c(c1)CCC[C@@H]2C
• InChI: InChI=1S/C11H12F3NO.2C11H15NO.2C11H15N.C10H12FN.C10H14N2O.C10H14N2.2C9H14N2.2C8H12N2O.3C8H12N2.C7H12N2.C6H10N2.C5H8N2/c1-7-3-2-4-8-5-9(6-15-10(7)8)16-11(12,13)14;2*1-8-4-3-5-9-6-10(13-2)7-12-11(8)9;2*1-8-6-10-5-3-4-9(2)11(10)12-7-8;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-8-6-13-7-10(2-3-10)12-5-4-11-9(8)12;1-8-2-3-10(4-5-10)12-7-6-11-9(8)12;2*1-8-4-2-3-6-11-7-5-10-9(8)11;2*1-7-6-11-5-4-10-3-2-9-8(7)10;2*1-7-3-2-5-10-6-4-9-8(7)10;1-2-8-9-5-6-10(8)7-3-4-7;1-6(2)7-8-4-5-9(7)3;1-3-6-7-4-5-8(6)2;1-2-5-6-3-4-7-5/h5-7H,2-4H2,1H3;2*6-8H,3-5H2,1-2H3;2*6-7,9H,3-5H2,1-2H3;5-7H,2-4H2,1H3;4-5,8H,2-3,6-7H2,1H3;6-8H,2-5H2,1H3;2*5,7-8H,2-4,6H2,1H3;2*2-3,7H,4-6H2,1H3;2*4,6-7H,2-3,5H2,1H3;5-7H,2-4H2,1H3;4-6H,1-3H3;4-5H,3H2,1-2H3;3-4H,2H2,1H3,(H,6,7)/t7-;2*8-;2*9-;7-;4*8-;4*7-;;;;/m00000000000000..../s1
• InChIKey: GOMOIVHVHVZYLT-RDBZDFHRSA-N
• XLogP: 35.79
• TPSA: 357.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 8
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2757.81
LogP ≤ 5	35.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline?

The IUPAC name of 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline (CID 158317941) is 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline?

The canonical SMILES for 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline is CC(C)c1nccn1C.CCc1ncc[nH]1.CCc1nccn1C.CCc1nccn1C1CC1.COc1cnc2c(c1)CCC[C@@H]2C.COc1cnc2c(c1)CCC[C@@H]2C.C[C@H]1CCC2(CC2)n2ccnc21.C[C@H]1CCCCn2ccnc21.C[C@H]1CCCCn2ccnc21.C[C@H]1CCCc2cc(F)cnc21.C[C@H]1CCCc2cc(OC(F)(F)F)cnc21.C[C@H]1CCCn2ccnc21.C[C@H]1CCCn2ccnc21.C[C@H]1COCC2(CC2)n2ccnc21.C[C@H]1COCCn2ccnc21.C[C@H]1COCCn2ccnc21.Cc1cnc2c(c1)CCC[C@@H]2C.Cc1cnc2c(c1)CCC[C@@H]2C.

What is the InChIKey of 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline?

The InChIKey is GOMOIVHVHVZYLT-RDBZDFHRSA-N. The full InChI is InChI=1S/C11H12F3NO.2C11H15NO.2C11H15N.C10H12FN.C10H14N2O.C10H14N2.2C9H14N2.2C8H12N2O.3C8H12N2.C7H12N2.C6H10N2.C5H8N2/c1-7-3-2-4-8-5-9(6-15-10(7)8)16-11(12,13)14;2*1-8-4-3-5-9-6-10(13-2)7-12-11(8)9;2*1-8-6-10-5-3-4-9(2)11(10)12-7-8;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-8-6-13-7-10(2-3-10)12-5-4-11-9(8)12;1-8-2-3-10(4-5-10)12-7-6-11-9(8)12;2*1-8-4-2-3-6-11-7-5-10-9(8)11;2*1-7-6-11-5-4-10-3-2-9-8(7)10;2*1-7-3-2-5-10-6-4-9-8(7)10;1-2-8-9-5-6-10(8)7-3-4-7;1-6(2)7-8-4-5-9(7)3;1-3-6-7-4-5-8(6)2;1-2-5-6-3-4-7-5/h5-7H,2-4H2,1H3;2*6-8H,3-5H2,1-2H3;2*6-7,9H,3-5H2,1-2H3;5-7H,2-4H2,1H3;4-5,8H,2-3,6-7H2,1H3;6-8H,2-5H2,1H3;2*5,7-8H,2-4,6H2,1H3;2*2-3,7H,4-6H2,1H3;2*4,6-7H,2-3,5H2,1H3;5-7H,2-4H2,1H3;4-6H,1-3H3;4-5H,3H2,1-2H3;3-4H,2H2,1H3,(H,6,7)/t7-;2*8-;2*9-;7-;4*8-;4*7-;;;;/m00000000000000..../s1.

What are the key properties of 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline?

1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 2757.81 g/mol, XLogP of 35.79, 8 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 158317941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).