[(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone

C23H23ClN6O3 — CID 146571694

About [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone (PubChem CID 146571694) has the molecular formula C23H23ClN6O3 and a molecular weight of 466.93 g/mol. Its IUPAC name is [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 146571694
• Molecular Formula: C23H23ClN6O3
• Molecular Weight: 466.93 g/mol
• Exact Mass: 466.15
• IUPAC Name: [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
• SMILES: COc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](C)OC[C@H]2c2nc3c(C)c(Cl)ccc3[nH]2)c1
• InChI: InChI=1S/C23H23ClN6O3/c1-13-11-29(20(12-33-13)22-27-18-6-5-17(24)14(2)21(18)28-22)23(31)16-10-15(32-3)4-7-19(16)30-25-8-9-26-30/h4-10,13,20H,11-12H2,1-3H3,(H,27,28)/t13-,20+/m1/s1
• InChIKey: FCSPNDGARGKVKG-XCLFUZPHSA-N
• XLogP: 3.72
• TPSA: 98.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.93
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone (CID 146571694) is [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone is COc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](C)OC[C@H]2c2nc3c(C)c(Cl)ccc3[nH]2)c1.

What is the InChIKey of [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone?

The InChIKey is FCSPNDGARGKVKG-XCLFUZPHSA-N. The full InChI is InChI=1S/C23H23ClN6O3/c1-13-11-29(20(12-33-13)22-27-18-6-5-17(24)14(2)21(18)28-22)23(31)16-10-15(32-3)4-7-19(16)30-25-8-9-26-30/h4-10,13,20H,11-12H2,1-3H3,(H,27,28)/t13-,20+/m1/s1.

What are the key properties of [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone?

[(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 466.93 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 146571694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).