N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

C20H25FN4O — CID 128983523

About N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 128983523) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
• PubChem CID: 128983523
• Molecular Formula: C20H25FN4O
• Molecular Weight: 356.44 g/mol
• Exact Mass: 356.20
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
• SMILES: O=C(CN1CCCC1c1nc2c([nH]1)CCCC2)NCc1ccc(F)cc1
• InChI: InChI=1S/C20H25FN4O/c21-15-9-7-14(8-10-15)12-22-19(26)13-25-11-3-6-18(25)20-23-16-4-1-2-5-17(16)24-20/h7-10,18H,1-6,11-13H2,(H,22,26)(H,23,24)
• InChIKey: CKQXDWQEGZBNMK-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.44
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (CID 128983523) is N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1c1nc2c([nH]1)CCCC2)NCc1ccc(F)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?

The InChIKey is CKQXDWQEGZBNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-15-9-7-14(8-10-15)12-22-19(26)13-25-11-3-6-18(25)20-23-16-4-1-2-5-17(16)24-20/h7-10,18H,1-6,11-13H2,(H,22,26)(H,23,24).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128983523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).