[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C18H18FN3O3 — CID 95893997

About [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 95893997) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
• PubChem CID: 95893997
• Molecular Formula: C18H18FN3O3
• Molecular Weight: 343.36 g/mol
• Exact Mass: 343.13
• IUPAC Name: [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
• SMILES: COCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)o1
• InChI: InChI=1S/C18H18FN3O3/c1-24-10-12-5-7-16(25-12)18(23)22-8-2-3-15(22)17-20-13-6-4-11(19)9-14(13)21-17/h4-7,9,15H,2-3,8,10H2,1H3,(H,20,21)/t15-/m1/s1
• InChIKey: LAVRFFRQHQPIJX-OAHLLOKOSA-N
• XLogP: 3.42
• TPSA: 71.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.36
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?

The IUPAC name of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 95893997) is [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

What is the SMILES notation for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?

The canonical SMILES for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)o1.

What is the InChIKey of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?

The InChIKey is LAVRFFRQHQPIJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-24-10-12-5-7-16(25-12)18(23)22-8-2-3-15(22)17-20-13-6-4-11(19)9-14(13)21-17/h4-7,9,15H,2-3,8,10H2,1H3,(H,20,21)/t15-/m1/s1.

What are the key properties of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 343.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 95893997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).