(5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H26N4O — CID 29002413

About (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 29002413) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 29002413
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.45 g/mol
• Exact Mass: 338.21
• IUPAC Name: (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: Cc1cccc(CN2CCC[C@]3(CCN(Cc4ncc[nH]4)C3)C2=O)c1
• InChI: InChI=1S/C20H26N4O/c1-16-4-2-5-17(12-16)13-24-10-3-6-20(19(24)25)7-11-23(15-20)14-18-21-8-9-22-18/h2,4-5,8-9,12H,3,6-7,10-11,13-15H2,1H3,(H,21,22)/t20-/m1/s1
• InChIKey: QVWBJVJHKXESGR-HXUWFJFHSA-N
• XLogP: 2.73
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.45
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 29002413) is (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1cccc(CN2CCC[C@]3(CCN(Cc4ncc[nH]4)C3)C2=O)c1.

What is the InChIKey of (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is QVWBJVJHKXESGR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-4-2-5-17(12-16)13-24-10-3-6-20(19(24)25)7-11-23(15-20)14-18-21-8-9-22-18/h2,4-5,8-9,12H,3,6-7,10-11,13-15H2,1H3,(H,21,22)/t20-/m1/s1.

What are the key properties of (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

(5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 338.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 29002413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).