1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C23H21ClN6O2 — CID 164870619

About 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 164870619) has the molecular formula C23H21ClN6O2 and a molecular weight of 448.91 g/mol. Its IUPAC name is 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
• PubChem CID: 164870619
• Molecular Formula: C23H21ClN6O2
• Molecular Weight: 448.91 g/mol
• Exact Mass: 448.14
• IUPAC Name: 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
• SMILES: Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC(C)(C)O)c5)nc4c3Cl)cc2[nH]1
• InChI: InChI=1S/C23H21ClN6O2/c1-13-27-16-5-4-15(8-18(16)28-13)32-20-7-6-17-22(21(20)24)29-19(10-25-17)14-9-26-30(11-14)12-23(2,3)31/h4-11,31H,12H2,1-3H3,(H,27,28)
• InChIKey: BNQXJCCEYFBGDB-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 101.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.91
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 164870619) is 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC(C)(C)O)c5)nc4c3Cl)cc2[nH]1.

What is the InChIKey of 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?

The InChIKey is BNQXJCCEYFBGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2/c1-13-27-16-5-4-15(8-18(16)28-13)32-20-7-6-17-22(21(20)24)29-19(10-25-17)14-9-26-30(11-14)12-23(2,3)31/h4-11,31H,12H2,1-3H3,(H,27,28).

What are the key properties of 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?

1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 448.91 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 164870619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).