(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide

C26H26Cl2N4O — CID 93301252

About (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide

(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide (PubChem CID 93301252) has the molecular formula C26H26Cl2N4O and a molecular weight of 481.43 g/mol. Its IUPAC name is (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide.

Molecular Properties

• Compound Name: (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
• PubChem CID: 93301252
• Molecular Formula: C26H26Cl2N4O
• Molecular Weight: 481.43 g/mol
• Exact Mass: 480.15
• IUPAC Name: (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
• SMILES: CCC[C@H](C(=O)NCCc1ccccn1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21
• InChI: InChI=1S/C26H26Cl2N4O/c1-2-7-24(26(33)30-15-13-20-8-5-6-14-29-20)32-23-10-4-3-9-22(23)31-25(32)16-18-11-12-19(27)17-21(18)28/h3-6,8-12,14,17,24H,2,7,13,15-16H2,1H3,(H,30,33)/t24-/m1/s1
• InChIKey: NARJXWHNUDYMGZ-XMMPIXPASA-N
• XLogP: 6.03
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.43
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide?

The IUPAC name of (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide (CID 93301252) is (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide.

What is the SMILES notation for (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide?

The canonical SMILES for (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide is CCC[C@H](C(=O)NCCc1ccccn1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21.

What is the InChIKey of (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide?

The InChIKey is NARJXWHNUDYMGZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26Cl2N4O/c1-2-7-24(26(33)30-15-13-20-8-5-6-14-29-20)32-23-10-4-3-9-22(23)31-25(32)16-18-11-12-19(27)17-21(18)28/h3-6,8-12,14,17,24H,2,7,13,15-16H2,1H3,(H,30,33)/t24-/m1/s1.

What are the key properties of (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide?

(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide has a molecular weight of 481.43 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide is sourced from PubChem (CID 93301252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).