3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone

C24H27ClN4O — CID 59686074

About 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone

3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone (PubChem CID 59686074) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

• Compound Name: 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
• PubChem CID: 59686074
• Molecular Formula: C24H27ClN4O
• Molecular Weight: 422.96 g/mol
• Exact Mass: 422.19
• IUPAC Name: 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
• SMILES: CC(C)N1CC2(CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)C1c1ccc(Cl)cc1
• InChI: InChI=1S/C24H27ClN4O/c1-16(2)29-14-24(22(29)17-3-6-19(25)7-4-17)9-11-28(12-10-24)23(30)18-5-8-20-21(13-18)27-15-26-20/h3-8,13,15-16,22H,9-12,14H2,1-2H3,(H,26,27)
• InChIKey: HAUGTGABYXMYDL-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.96
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?

The IUPAC name of 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone (CID 59686074) is 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone.

What is the SMILES notation for 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?

The canonical SMILES for 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone is CC(C)N1CC2(CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)C1c1ccc(Cl)cc1.

What is the InChIKey of 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?

The InChIKey is HAUGTGABYXMYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-16(2)29-14-24(22(29)17-3-6-19(25)7-4-17)9-11-28(12-10-24)23(30)18-5-8-20-21(13-18)27-15-26-20/h3-8,13,15-16,22H,9-12,14H2,1-2H3,(H,26,27).

What are the key properties of 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?

3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 422.96 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 59686074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).