N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide

C26H32FN3O2 — CID 10917130

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide (PubChem CID 10917130) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide.

Molecular Properties

• Compound Name: N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide
• PubChem CID: 10917130
• Molecular Formula: C26H32FN3O2
• Molecular Weight: 437.56 g/mol
• Exact Mass: 437.25
• IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide
• SMILES: CC(C)C1c2ccc(F)cc2CCC1(O)CC(=O)N(C)CCCc1nc2ccccc2[nH]1
• InChI: InChI=1S/C26H32FN3O2/c1-17(2)25-20-11-10-19(27)15-18(20)12-13-26(25,32)16-24(31)30(3)14-6-9-23-28-21-7-4-5-8-22(21)29-23/h4-5,7-8,10-11,15,17,25,32H,6,9,12-14,16H2,1-3H3,(H,28,29)
• InChIKey: IIPBBLADNLSWDI-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.56
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide?

The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide (CID 10917130) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide.

What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide?

The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide is CC(C)C1c2ccc(F)cc2CCC1(O)CC(=O)N(C)CCCc1nc2ccccc2[nH]1.

What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide?

The InChIKey is IIPBBLADNLSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-17(2)25-20-11-10-19(27)15-18(20)12-13-26(25,32)16-24(31)30(3)14-6-9-23-28-21-7-4-5-8-22(21)29-23/h4-5,7-8,10-11,15,17,25,32H,6,9,12-14,16H2,1-3H3,(H,28,29).

What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide?

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide has a molecular weight of 437.56 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylacetamide is sourced from PubChem (CID 10917130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).