6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline

C130H126ClF3N30 — CID 158770621

IUPAC6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline
SMILESCc1cc(F)cc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1Cl.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1F.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1F.Cc1cccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1
InChIInChI=1S/C26H25ClN6.3C26H25FN6.C26H26N6/c1-16(2)33-13-10-22(32-33)26-25(19-7-8-21-23(15-19)29-12-11-28-21)30-24(31-26)9-6-18-5-4-17(3)20(27)14-18;1-16(2)33-11-8-22(32-33)26-25(19-5-6-21-23(15-19)29-10-9-28-21)30-24(31-26)7-4-18-12-17(3)13-20(27)14-18;2*1-16(2)33-13-10-22(32-33)26-25(19-7-8-21-23(15-19)29-12-11-28-21)30-24(31-26)9-6-18-5-4-17(3)20(27)14-18;1-17(2)32-14-11-22(31-32)26-25(20-8-9-21-23(16-20)28-13-12-27-21)29-24(30-26)10-7-19-6-4-5-18(3)15-19/h4-5,7-8,10-16H,6,9H2,1-3H3,(H,30,31);5-6,8-16H,4,7H2,1-3H3,(H,30,31);2*4-5,7-8,10-16H,6,9H2,1-3H3,(H,30,31);4-6,8-9,11-17H,7,10H2,1-3H3,(H,29,30)
InChIKeyIPUVSCGXXGHGJM-UHFFFAOYSA-N
MW2201.09 g/mol
LogP28.86
Rot. Bonds30

About 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline

6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline (PubChem CID 158770621) has the molecular formula C130H126ClF3N30 and a molecular weight of 2201.09 g/mol. Its IUPAC name is 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline
PubChem CID158770621
Molecular FormulaC130H126ClF3N30
Molecular Weight2201.09 g/mol
Exact Mass2199.04
IUPAC Name6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline
SMILESCc1cc(F)cc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1Cl.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1F.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1F.Cc1cccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1
InChIInChI=1S/C26H25ClN6.3C26H25FN6.C26H26N6/c1-16(2)33-13-10-22(32-33)26-25(19-7-8-21-23(15-19)29-12-11-28-21)30-24(31-26)9-6-18-5-4-17(3)20(27)14-18;1-16(2)33-11-8-22(32-33)26-25(19-5-6-21-23(15-19)29-10-9-28-21)30-24(31-26)7-4-18-12-17(3)13-20(27)14-18;2*1-16(2)33-13-10-22(32-33)26-25(19-7-8-21-23(15-19)29-12-11-28-21)30-24(31-26)9-6-18-5-4-17(3)20(27)14-18;1-17(2)32-14-11-22(31-32)26-25(20-8-9-21-23(16-20)28-13-12-27-21)29-24(30-26)10-7-19-6-4-5-18(3)15-19/h4-5,7-8,10-16H,6,9H2,1-3H3,(H,30,31);5-6,8-16H,4,7H2,1-3H3,(H,30,31);2*4-5,7-8,10-16H,6,9H2,1-3H3,(H,30,31);4-6,8-9,11-17H,7,10H2,1-3H3,(H,29,30)
InChIKeyIPUVSCGXXGHGJM-UHFFFAOYSA-N
XLogP28.86
TPSA361.40 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002201.09
LogP ≤ 528.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline?
The IUPAC name of 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline (CID 158770621) is 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline?
The canonical SMILES for 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline is Cc1cc(F)cc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1Cl.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1F.Cc1ccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)cc1F.Cc1cccc(CCc2nc(-c3ccc4nccnc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.
What is the InChIKey of 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline?
The InChIKey is IPUVSCGXXGHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6.3C26H25FN6.C26H26N6/c1-16(2)33-13-10-22(32-33)26-25(19-7-8-21-23(15-19)29-12-11-28-21)30-24(31-26)9-6-18-5-4-17(3)20(27)14-18;1-16(2)33-11-8-22(32-33)26-25(19-5-6-21-23(15-19)29-10-9-28-21)30-24(31-26)7-4-18-12-17(3)13-20(27)14-18;2*1-16(2)33-13-10-22(32-33)26-25(19-7-8-21-23(15-19)29-12-11-28-21)30-24(31-26)9-6-18-5-4-17(3)20(27)14-18;1-17(2)32-14-11-22(31-32)26-25(20-8-9-21-23(16-20)28-13-12-27-21)29-24(30-26)10-7-19-6-4-5-18(3)15-19/h4-5,7-8,10-16H,6,9H2,1-3H3,(H,30,31);5-6,8-16H,4,7H2,1-3H3,(H,30,31);2*4-5,7-8,10-16H,6,9H2,1-3H3,(H,30,31);4-6,8-9,11-17H,7,10H2,1-3H3,(H,29,30).
What are the key properties of 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline?
6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline has a molecular weight of 2201.09 g/mol, XLogP of 28.86, 30 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(3-chloro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;bis(6-[2-[2-(3-fluoro-4-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline);6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoxaline is sourced from PubChem (CID 158770621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).