4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride

C62H54Cl4N11O5P — CID 161166075

About 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride

4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride (PubChem CID 161166075) has the molecular formula C62H54Cl4N11O5P and a molecular weight of 1205.97 g/mol. Its IUPAC name is 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride.

Molecular Properties

• Compound Name: 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride
• PubChem CID: 161166075
• Molecular Formula: C62H54Cl4N11O5P
• Molecular Weight: 1205.97 g/mol
• Exact Mass: 1203.28
• IUPAC Name: 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride
• SMILES: Cc1noc(C)c1-c1ccc2[nH]c(=O)n(Cc3ccccc3)c2c1.Cc1noc(C)c1-c1ccc2nc(Cl)n(Cc3ccccc3)c2c1.Cc1noc(C)c1-c1ccc2nc(Nc3cccnc3)n(Cc3ccccc3)c2c1.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C24H21N5O.C19H16ClN3O.C19H17N3O2.Cl3OP/c1-16-23(17(2)30-28-16)19-10-11-21-22(13-19)29(15-18-7-4-3-5-8-18)24(27-21)26-20-9-6-12-25-14-20;1-12-18(13(2)24-22-12)15-8-9-16-17(10-15)23(19(20)21-16)11-14-6-4-3-5-7-14;1-12-18(13(2)24-21-12)15-8-9-16-17(10-15)22(19(23)20-16)11-14-6-4-3-5-7-14;1-5(2,3)4/h3-14H,15H2,1-2H3,(H,26,27);3-10H,11H2,1-2H3;3-10H,11H2,1-2H3,(H,20,23)
• InChIKey: UQOALTBBVQQXCK-UHFFFAOYSA-N
• XLogP: 16.97
• TPSA: 193.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1205.97
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride?

The IUPAC name of 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride (CID 161166075) is 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride.

What is the SMILES notation for 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride?

The canonical SMILES for 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride is Cc1noc(C)c1-c1ccc2[nH]c(=O)n(Cc3ccccc3)c2c1.Cc1noc(C)c1-c1ccc2nc(Cl)n(Cc3ccccc3)c2c1.Cc1noc(C)c1-c1ccc2nc(Nc3cccnc3)n(Cc3ccccc3)c2c1.O=P(Cl)(Cl)Cl.

What is the InChIKey of 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride?

The InChIKey is UQOALTBBVQQXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O.C19H16ClN3O.C19H17N3O2.Cl3OP/c1-16-23(17(2)30-28-16)19-10-11-21-22(13-19)29(15-18-7-4-3-5-8-18)24(27-21)26-20-9-6-12-25-14-20;1-12-18(13(2)24-22-12)15-8-9-16-17(10-15)23(19(20)21-16)11-14-6-4-3-5-7-14;1-12-18(13(2)24-21-12)15-8-9-16-17(10-15)22(19(23)20-16)11-14-6-4-3-5-7-14;1-5(2,3)4/h3-14H,15H2,1-2H3,(H,26,27);3-10H,11H2,1-2H3;3-10H,11H2,1-2H3,(H,20,23);.

What are the key properties of 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride?

4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride has a molecular weight of 1205.97 g/mol, XLogP of 16.97, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-benzyl-2-chlorobenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one;1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-3-ylbenzimidazol-2-amine;phosphoryl trichloride is sourced from PubChem (CID 161166075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).