N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide

C24H26ClN5O3 — CID 59655272

About N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide

N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 59655272) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

• Compound Name: N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
• PubChem CID: 59655272
• Molecular Formula: C24H26ClN5O3
• Molecular Weight: 467.96 g/mol
• Exact Mass: 467.17
• IUPAC Name: N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
• SMILES: CC(=O)NCC(NC(=O)c1ccc(C(=O)N2CCCC2)c(C)c1)c1nc2ccc(Cl)cc2[nH]1
• InChI: InChI=1S/C24H26ClN5O3/c1-14-11-16(5-7-18(14)24(33)30-9-3-4-10-30)23(32)29-21(13-26-15(2)31)22-27-19-8-6-17(25)12-20(19)28-22/h5-8,11-12,21H,3-4,9-10,13H2,1-2H3,(H,26,31)(H,27,28)(H,29,32)
• InChIKey: YYMGRNKPDLJAQM-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 107.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.96
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?

The IUPAC name of N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide (CID 59655272) is N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide.

What is the SMILES notation for N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?

The canonical SMILES for N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide is CC(=O)NCC(NC(=O)c1ccc(C(=O)N2CCCC2)c(C)c1)c1nc2ccc(Cl)cc2[nH]1.

What is the InChIKey of N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?

The InChIKey is YYMGRNKPDLJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-14-11-16(5-7-18(14)24(33)30-9-3-4-10-30)23(32)29-21(13-26-15(2)31)22-27-19-8-6-17(25)12-20(19)28-22/h5-8,11-12,21H,3-4,9-10,13H2,1-2H3,(H,26,31)(H,27,28)(H,29,32).

What are the key properties of N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?

N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 467.96 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 59655272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).