[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

C19H22FN5O — CID 95872746

About [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 95872746) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
• PubChem CID: 95872746
• Molecular Formula: C19H22FN5O
• Molecular Weight: 355.42 g/mol
• Exact Mass: 355.18
• IUPAC Name: [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
• SMILES: CCCn1cc(C(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c(C)n1
• InChI: InChI=1S/C19H22FN5O/c1-3-8-24-11-14(12(2)23-24)19(26)25-9-4-5-17(25)18-21-15-7-6-13(20)10-16(15)22-18/h6-7,10-11,17H,3-5,8-9H2,1-2H3,(H,21,22)/t17-/m0/s1
• InChIKey: TWGLOINCTJIZPQ-KRWDZBQOSA-N
• XLogP: 3.59
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.42
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?

The IUPAC name of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (CID 95872746) is [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.

What is the SMILES notation for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?

The canonical SMILES for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c(C)n1.

What is the InChIKey of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?

The InChIKey is TWGLOINCTJIZPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-3-8-24-11-14(12(2)23-24)19(26)25-9-4-5-17(25)18-21-15-7-6-13(20)10-16(15)22-18/h6-7,10-11,17H,3-5,8-9H2,1-2H3,(H,21,22)/t17-/m0/s1.

What are the key properties of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 355.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 95872746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).