2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C73H73Cl3F9N17O11 — CID 167702552

About 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167702552) has the molecular formula C73H73Cl3F9N17O11 and a molecular weight of 1641.84 g/mol. Its IUPAC name is 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167702552
• Molecular Formula: C73H73Cl3F9N17O11
• Molecular Weight: 1641.84 g/mol
• Exact Mass: 1639.46
• IUPAC Name: 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4cc(C(F)(F)F)ccc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4cc(C(F)(F)F)ccc34)c2)cc(OC)c1OC.FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1.OC[C@@H]1CCCN1
• InChI: InChI=1S/C26H27F3N6O4.C21H17ClF3N5O3.C12H15N3O3.C9H3Cl2F3N2.C5H11NO/c1-37-20-10-17(11-21(38-2)23(20)39-3)34-12-22(30-14-34)32-24-18-7-6-15(26(27,28)29)9-19(18)31-25(33-24)35-8-4-5-16(35)13-36;1-31-15-7-12(8-16(32-2)18(15)33-3)30-9-17(26-10-30)28-19-13-5-4-11(21(23,24)25)6-14(13)27-20(22)29-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7;7-4-5-2-1-3-6-5/h6-7,9-12,14,16,36H,4-5,8,13H2,1-3H3,(H,31,32,33);4-10H,1-3H3,(H,27,28,29);4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t16-;;;;5-/m0...0/s1
• InChIKey: YPRPSRDKWXNLOA-ZADWPAQNSA-N
• XLogP: 14.99
• TPSA: 319.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1641.84
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167702552) is 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4cc(C(F)(F)F)ccc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4cc(C(F)(F)F)ccc34)c2)cc(OC)c1OC.FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1.OC[C@@H]1CCCN1.

What is the InChIKey of 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is YPRPSRDKWXNLOA-ZADWPAQNSA-N. The full InChI is InChI=1S/C26H27F3N6O4.C21H17ClF3N5O3.C12H15N3O3.C9H3Cl2F3N2.C5H11NO/c1-37-20-10-17(11-21(38-2)23(20)39-3)34-12-22(30-14-34)32-24-18-7-6-15(26(27,28)29)9-19(18)31-25(33-24)35-8-4-5-16(35)13-36;1-31-15-7-12(8-16(32-2)18(15)33-3)30-9-17(26-10-30)28-19-13-5-4-11(21(23,24)25)6-14(13)27-20(22)29-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7;7-4-5-2-1-3-6-5/h6-7,9-12,14,16,36H,4-5,8,13H2,1-3H3,(H,31,32,33);4-10H,1-3H3,(H,27,28,29);4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t16-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1641.84 g/mol, XLogP of 14.99, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167702552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).