7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine

C133H96Cl12N32O2 — CID 158278026

About 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine

7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine (PubChem CID 158278026) has the molecular formula C133H96Cl12N32O2 and a molecular weight of 2599.89 g/mol. Its IUPAC name is 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

• Compound Name: 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
• PubChem CID: 158278026
• Molecular Formula: C133H96Cl12N32O2
• Molecular Weight: 2599.89 g/mol
• Exact Mass: 2592.47
• IUPAC Name: 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
• SMILES: Cc1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.Cn1c(C(c2ccc(Cl)cc2)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nnnn23)cnc1Cl.Cn1cncc1C(Cl)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nncn12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nncn12.Cn1cncc1C(NCCO)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12
• InChI: InChI=1S/C28H23Cl2N7O.C27H20Cl2N6O.2C26H17Cl3N6.C26H19Cl2N7/c1-36-17-31-16-26(36)28(32-11-12-38,19-5-8-21(29)9-6-19)20-7-10-25-24(14-20)23(15-27-33-34-35-37(25)27)18-3-2-4-22(30)13-18;1-16-25(17-4-3-5-21(29)12-17)22-13-19(8-11-23(22)35-26(16)31-32-33-35)27(36,24-14-30-15-34(24)2)18-6-9-20(28)10-7-18;1-34-14-30-13-23(34)26(29,17-5-8-19(27)9-6-17)18-7-10-22-21(12-18)24(16-3-2-4-20(28)11-16)32-25-33-31-15-35(22)25;1-34-23(14-30-26(34)29)25(15-5-8-18(27)9-6-15)17-7-10-22-21(12-17)20(13-24-31-32-33-35(22)24)16-3-2-4-19(28)11-16;1-34-14-30-13-23(34)26(29,17-5-8-19(27)9-6-17)18-7-10-22-21(12-18)24(16-3-2-4-20(28)11-16)32-25-33-31-15-35(22)25/h2-10,13-17,32,38H,11-12H2,1H3;3-15,36H,1-2H3;2-15H,1H3;2-14,25H,1H3;2-15H,29H2,1H3
• InChIKey: GJVXTFZSTCAHPB-UHFFFAOYSA-N
• XLogP: 29.01
• TPSA: 383.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2599.89
LogP ≤ 5	29.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine?

The IUPAC name of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine (CID 158278026) is 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine.

What is the SMILES notation for 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine?

The canonical SMILES for 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine is Cc1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.Cn1c(C(c2ccc(Cl)cc2)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nnnn23)cnc1Cl.Cn1cncc1C(Cl)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nncn12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nncn12.Cn1cncc1C(NCCO)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.

What is the InChIKey of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine?

The InChIKey is GJVXTFZSTCAHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2N7O.C27H20Cl2N6O.2C26H17Cl3N6.C26H19Cl2N7/c1-36-17-31-16-26(36)28(32-11-12-38,19-5-8-21(29)9-6-19)20-7-10-25-24(14-20)23(15-27-33-34-35-37(25)27)18-3-2-4-22(30)13-18;1-16-25(17-4-3-5-21(29)12-17)22-13-19(8-11-23(22)35-26(16)31-32-33-35)27(36,24-14-30-15-34(24)2)18-6-9-20(28)10-7-18;1-34-14-30-13-23(34)26(29,17-5-8-19(27)9-6-17)18-7-10-22-21(12-18)24(16-3-2-4-20(28)11-16)32-25-33-31-15-35(22)25;1-34-23(14-30-26(34)29)25(15-5-8-18(27)9-6-15)17-7-10-22-21(12-17)20(13-24-31-32-33-35(22)24)16-3-2-4-19(28)11-16;1-34-14-30-13-23(34)26(29,17-5-8-19(27)9-6-17)18-7-10-22-21(12-18)24(16-3-2-4-20(28)11-16)32-25-33-31-15-35(22)25/h2-10,13-17,32,38H,11-12H2,1H3;3-15,36H,1-2H3;2-15H,1H3;2-14,25H,1H3;2-15H,29H2,1H3.

What are the key properties of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine?

7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine has a molecular weight of 2599.89 g/mol, XLogP of 29.01, 23 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 158278026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).