N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine

C24H27N3O2 — CID 75464069

About N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine

N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine (PubChem CID 75464069) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine.

Molecular Properties

• Compound Name: N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine
• PubChem CID: 75464069
• Molecular Formula: C24H27N3O2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.21
• IUPAC Name: N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine
• SMILES: c1ccc(Cn2ccnc2CNC2(c3ccc4c(c3)OCCO4)CCCC2)cc1
• InChI: InChI=1S/C24H27N3O2/c1-2-6-19(7-3-1)18-27-13-12-25-23(27)17-26-24(10-4-5-11-24)20-8-9-21-22(16-20)29-15-14-28-21/h1-3,6-9,12-13,16,26H,4-5,10-11,14-15,17-18H2
• InChIKey: USXQZUVPWJZILN-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 48.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine?

The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine (CID 75464069) is N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine.

What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine?

The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine is c1ccc(Cn2ccnc2CNC2(c3ccc4c(c3)OCCO4)CCCC2)cc1.

What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine?

The InChIKey is USXQZUVPWJZILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-6-19(7-3-1)18-27-13-12-25-23(27)17-26-24(10-4-5-11-24)20-8-9-21-22(16-20)29-15-14-28-21/h1-3,6-9,12-13,16,26H,4-5,10-11,14-15,17-18H2.

What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine?

N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine has a molecular weight of 389.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentan-1-amine is sourced from PubChem (CID 75464069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).