3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C23H25Cl2FN4O — CID 83289041

About 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 83289041) has the molecular formula C23H25Cl2FN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
• PubChem CID: 83289041
• Molecular Formula: C23H25Cl2FN4O
• Molecular Weight: 463.38 g/mol
• Exact Mass: 462.14
• IUPAC Name: 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
• SMILES: O=C(CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21)NCCN1CCCC1
• InChI: InChI=1S/C23H25Cl2FN4O/c24-17-14-20-21(15-18(17)25)30(22(28-20)13-16-5-1-2-6-19(16)26)11-7-23(31)27-8-12-29-9-3-4-10-29/h1-2,5-6,14-15H,3-4,7-13H2,(H,27,31)
• InChIKey: AZJYPZKFCVGAEP-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.38
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?

The IUPAC name of 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 83289041) is 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

What is the SMILES notation for 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?

The canonical SMILES for 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is O=C(CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21)NCCN1CCCC1.

What is the InChIKey of 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?

The InChIKey is AZJYPZKFCVGAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2FN4O/c24-17-14-20-21(15-18(17)25)30(22(28-20)13-16-5-1-2-6-19(16)26)11-7-23(31)27-8-12-29-9-3-4-10-29/h1-2,5-6,14-15H,3-4,7-13H2,(H,27,31).

What are the key properties of 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?

3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 463.38 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 83289041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).