2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

C21H20FN3O — CID 95874157

About 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 95874157) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 95874157
• Molecular Formula: C21H20FN3O
• Molecular Weight: 349.41 g/mol
• Exact Mass: 349.16
• IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C21H20FN3O/c22-16-8-9-17-18(12-16)24-20(23-17)19-5-2-10-25(19)21(26)15-7-6-13-3-1-4-14(13)11-15/h6-9,11-12,19H,1-5,10H2,(H,23,24)/t19-/m0/s1
• InChIKey: JIVBCEOVCXDCNI-IBGZPJMESA-N
• XLogP: 4.17
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.41
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 95874157) is 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1.

What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is JIVBCEOVCXDCNI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20FN3O/c22-16-8-9-17-18(12-16)24-20(23-17)19-5-2-10-25(19)21(26)15-7-6-13-3-1-4-14(13)11-15/h6-9,11-12,19H,1-5,10H2,(H,23,24)/t19-/m0/s1.

What are the key properties of 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 349.41 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95874157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).