(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide

C24H22Cl2N4O — CID 93301422

About (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide

(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 93301422) has the molecular formula C24H22Cl2N4O and a molecular weight of 453.37 g/mol. Its IUPAC name is (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

• Compound Name: (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
• PubChem CID: 93301422
• Molecular Formula: C24H22Cl2N4O
• Molecular Weight: 453.37 g/mol
• Exact Mass: 452.12
• IUPAC Name: (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
• SMILES: CC[C@H](C(=O)NCc1cccnc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21
• InChI: InChI=1S/C24H22Cl2N4O/c1-2-21(24(31)28-15-16-7-6-12-27-14-16)30-22-11-4-3-10-20(22)29-23(30)13-17-18(25)8-5-9-19(17)26/h3-12,14,21H,2,13,15H2,1H3,(H,28,31)/t21-/m1/s1
• InChIKey: FTTYQLBTEJKEMD-OAQYLSRUSA-N
• XLogP: 5.60
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.37
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide?

The IUPAC name of (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide (CID 93301422) is (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide.

What is the SMILES notation for (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide?

The canonical SMILES for (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide is CC[C@H](C(=O)NCc1cccnc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21.

What is the InChIKey of (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide?

The InChIKey is FTTYQLBTEJKEMD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22Cl2N4O/c1-2-21(24(31)28-15-16-7-6-12-27-14-16)30-22-11-4-3-10-20(22)29-23(30)13-17-18(25)8-5-9-19(17)26/h3-12,14,21H,2,13,15H2,1H3,(H,28,31)/t21-/m1/s1.

What are the key properties of (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide?

(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 453.37 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 93301422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).