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

C24H23Cl2N3O2 — CID 93301338

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

(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide (PubChem CID 93301338) has the molecular formula C24H23Cl2N3O2 and a molecular weight of 456.37 g/mol. Its IUPAC name is (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

• Compound Name: (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
• PubChem CID: 93301338
• Molecular Formula: C24H23Cl2N3O2
• Molecular Weight: 456.37 g/mol
• Exact Mass: 455.12
• IUPAC Name: (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
• SMILES: CCC[C@H](C(=O)NCc1ccco1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21
• InChI: InChI=1S/C24H23Cl2N3O2/c1-2-6-22(24(30)27-15-18-7-5-12-31-18)29-21-9-4-3-8-20(21)28-23(29)13-16-10-11-17(25)14-19(16)26/h3-5,7-12,14,22H,2,6,13,15H2,1H3,(H,27,30)/t22-/m1/s1
• InChIKey: FWLDZGXPNAZBKW-JOCHJYFZSA-N
• XLogP: 6.18
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.37
LogP ≤ 5	6.18
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-(furan-2-ylmethyl)pentanamide?

The IUPAC name of (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide (CID 93301338) is (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide.

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

The canonical SMILES for (2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide is CCC[C@H](C(=O)NCc1ccco1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21.

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

The InChIKey is FWLDZGXPNAZBKW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2/c1-2-6-22(24(30)27-15-18-7-5-12-31-18)29-21-9-4-3-8-20(21)28-23(29)13-16-10-11-17(25)14-19(16)26/h3-5,7-12,14,22H,2,6,13,15H2,1H3,(H,27,30)/t22-/m1/s1.

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

(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 456.37 g/mol, XLogP of 6.18, 8 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-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 93301338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).