(2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide

C25H23Cl2FN4O — CID 97036999

About (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide

(2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 97036999) has the molecular formula C25H23Cl2FN4O and a molecular weight of 485.39 g/mol. Its IUPAC name is (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

• Compound Name: (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide
• PubChem CID: 97036999
• Molecular Formula: C25H23Cl2FN4O
• Molecular Weight: 485.39 g/mol
• Exact Mass: 484.12
• IUPAC Name: (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide
• SMILES: CC[C@H](C(=O)NCCc1ccccn1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21
• InChI: InChI=1S/C25H23Cl2FN4O/c1-2-22(25(33)30-12-10-17-8-5-6-11-29-17)32-23-15-19(27)18(26)14-21(23)31-24(32)13-16-7-3-4-9-20(16)28/h3-9,11,14-15,22H,2,10,12-13H2,1H3,(H,30,33)/t22-/m1/s1
• InChIKey: JCMQPSIHUKWDDM-JOCHJYFZSA-N
• XLogP: 5.78
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.39
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide?

The IUPAC name of (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide (CID 97036999) is (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide.

What is the SMILES notation for (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide?

The canonical SMILES for (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide is CC[C@H](C(=O)NCCc1ccccn1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21.

What is the InChIKey of (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide?

The InChIKey is JCMQPSIHUKWDDM-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23Cl2FN4O/c1-2-22(25(33)30-12-10-17-8-5-6-11-29-17)32-23-15-19(27)18(26)14-21(23)31-24(32)13-16-7-3-4-9-20(16)28/h3-9,11,14-15,22H,2,10,12-13H2,1H3,(H,30,33)/t22-/m1/s1.

What are the key properties of (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide?

(2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 485.39 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 97036999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).