2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one

C25H23NO2 — CID 53321642

IUPAC2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(Nc1cccc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C25H23NO2/c27-22-14-5-4-12-20(22)25(24-16-18-9-2-6-15-23(18)28-24)26-21-13-7-10-17-8-1-3-11-19(17)21/h1-3,6-11,13,15-16,20,25-26H,4-5,12,14H2
InChIKeyHGKWHIVQQLOUTG-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.50
Rot. Bonds4

About 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one

2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one (PubChem CID 53321642) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one
PubChem CID53321642
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(Nc1cccc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C25H23NO2/c27-22-14-5-4-12-20(22)25(24-16-18-9-2-6-15-23(18)28-24)26-21-13-7-10-17-8-1-3-11-19(17)21/h1-3,6-11,13,15-16,20,25-26H,4-5,12,14H2
InChIKeyHGKWHIVQQLOUTG-UHFFFAOYSA-N
XLogP6.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one?
The IUPAC name of 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one (CID 53321642) is 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one is O=C1CCCCC1C(Nc1cccc2ccccc12)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one?
The InChIKey is HGKWHIVQQLOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c27-22-14-5-4-12-20(22)25(24-16-18-9-2-6-15-23(18)28-24)26-21-13-7-10-17-8-1-3-11-19(17)21/h1-3,6-11,13,15-16,20,25-26H,4-5,12,14H2.
What are the key properties of 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one?
2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one has a molecular weight of 369.46 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 53321642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).