[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone

C22H25FN4O3 — CID 95807889

About [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone (PubChem CID 95807889) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone
• PubChem CID: 95807889
• Molecular Formula: C22H25FN4O3
• Molecular Weight: 412.47 g/mol
• Exact Mass: 412.19
• IUPAC Name: [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone
• SMILES: O=C(c1ccc(CN2CCOCC2)o1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C22H25FN4O3/c23-15-4-6-17-18(13-15)25-21(24-17)19-3-1-2-8-27(19)22(28)20-7-5-16(30-20)14-26-9-11-29-12-10-26/h4-7,13,19H,1-3,8-12,14H2,(H,24,25)/t19-/m1/s1
• InChIKey: JIXQWHLHPNZVSE-LJQANCHMSA-N
• XLogP: 3.49
• TPSA: 74.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.47
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone?

The IUPAC name of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone (CID 95807889) is [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone.

What is the SMILES notation for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone?

The canonical SMILES for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone is O=C(c1ccc(CN2CCOCC2)o1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1.

What is the InChIKey of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone?

The InChIKey is JIXQWHLHPNZVSE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25FN4O3/c23-15-4-6-17-18(13-15)25-21(24-17)19-3-1-2-8-27(19)22(28)20-7-5-16(30-20)14-26-9-11-29-12-10-26/h4-7,13,19H,1-3,8-12,14H2,(H,24,25)/t19-/m1/s1.

What are the key properties of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone?

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone has a molecular weight of 412.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 95807889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).