N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

C24H21Cl2N3O — CID 16967031

About N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 16967031) has the molecular formula C24H21Cl2N3O and a molecular weight of 438.36 g/mol. Its IUPAC name is N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
• PubChem CID: 16967031
• Molecular Formula: C24H21Cl2N3O
• Molecular Weight: 438.36 g/mol
• Exact Mass: 437.11
• IUPAC Name: N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)c1
• InChI: InChI=1S/C24H21Cl2N3O/c1-15-7-5-8-17(13-15)24(30)27-16(2)23-28-21-11-3-4-12-22(21)29(23)14-18-19(25)9-6-10-20(18)26/h3-13,16H,14H2,1-2H3,(H,27,30)
• InChIKey: WXSNDMGEHBCPRX-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.36
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The IUPAC name of N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 16967031) is N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

What is the SMILES notation for N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The canonical SMILES for N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)c1.

What is the InChIKey of N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The InChIKey is WXSNDMGEHBCPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O/c1-15-7-5-8-17(13-15)24(30)27-16(2)23-28-21-11-3-4-12-22(21)29(23)14-18-19(25)9-6-10-20(18)26/h3-13,16H,14H2,1-2H3,(H,27,30).

What are the key properties of N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 438.36 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 16967031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).