2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide

C28H21Cl2N3O2 — CID 66966775

About 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 66966775) has the molecular formula C28H21Cl2N3O2 and a molecular weight of 502.40 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 66966775
• Molecular Formula: C28H21Cl2N3O2
• Molecular Weight: 502.40 g/mol
• Exact Mass: 501.10
• IUPAC Name: 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide
• SMILES: O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
• InChI: InChI=1S/C28H21Cl2N3O2/c29-20-12-7-13-21(30)24(20)27-31-22-15-14-19(16-23(22)32-27)28(35)33-25(17-8-3-1-4-9-17)26(34)18-10-5-2-6-11-18/h1-16,25-26,34H,(H,31,32)(H,33,35)/t25-,26+/m1/s1
• InChIKey: SQNGUPNXRWEAJA-FTJBHMTQSA-N
• XLogP: 6.74
• TPSA: 78.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.40
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide (CID 66966775) is 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide is O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.

What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is SQNGUPNXRWEAJA-FTJBHMTQSA-N. The full InChI is InChI=1S/C28H21Cl2N3O2/c29-20-12-7-13-21(30)24(20)27-31-22-15-14-19(16-23(22)32-27)28(35)33-25(17-8-3-1-4-9-17)26(34)18-10-5-2-6-11-18/h1-16,25-26,34H,(H,31,32)(H,33,35)/t25-,26+/m1/s1.

What are the key properties of 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide?

2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 502.40 g/mol, XLogP of 6.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66966775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).