2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one

C23H20FN3O3 — CID 146024731

About 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one

2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one (PubChem CID 146024731) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one.

Molecular Properties

• Compound Name: 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one
• PubChem CID: 146024731
• Molecular Formula: C23H20FN3O3
• Molecular Weight: 405.43 g/mol
• Exact Mass: 405.15
• IUPAC Name: 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one
• SMILES: Cc1cc2oc(C(=O)N3CCCC3c3nc4ccc(F)cc4[nH]3)cc(=O)c2cc1C
• InChI: InChI=1S/C23H20FN3O3/c1-12-8-15-19(28)11-21(30-20(15)9-13(12)2)23(29)27-7-3-4-18(27)22-25-16-6-5-14(24)10-17(16)26-22/h5-6,8-11,18H,3-4,7H2,1-2H3,(H,25,26)
• InChIKey: ISHHHOGZRNVJQN-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.43
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one?

The IUPAC name of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one (CID 146024731) is 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one.

What is the SMILES notation for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one?

The canonical SMILES for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one is Cc1cc2oc(C(=O)N3CCCC3c3nc4ccc(F)cc4[nH]3)cc(=O)c2cc1C.

What is the InChIKey of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one?

The InChIKey is ISHHHOGZRNVJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-12-8-15-19(28)11-21(30-20(15)9-13(12)2)23(29)27-7-3-4-18(27)22-25-16-6-5-14(24)10-17(16)26-22/h5-6,8-11,18H,3-4,7H2,1-2H3,(H,25,26).

What are the key properties of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one?

2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one has a molecular weight of 405.43 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one is sourced from PubChem (CID 146024731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).