4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one

C26H25NO2 — CID 58267108

IUPAC4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
SMILESCc1cc(-c2ccc(CC(=O)CC(C)(C)c3ccc4occc4c3)cc2)ccn1
InChIInChI=1S/C26H25NO2/c1-18-14-21(10-12-27-18)20-6-4-19(5-7-20)15-24(28)17-26(2,3)23-8-9-25-22(16-23)11-13-29-25/h4-14,16H,15,17H2,1-3H3
InChIKeyTYFPYMSBPAGWHJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.28
Rot. Bonds6

About 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one

4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one (PubChem CID 58267108) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
PubChem CID58267108
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
SMILESCc1cc(-c2ccc(CC(=O)CC(C)(C)c3ccc4occc4c3)cc2)ccn1
InChIInChI=1S/C26H25NO2/c1-18-14-21(10-12-27-18)20-6-4-19(5-7-20)15-24(28)17-26(2,3)23-8-9-25-22(16-23)11-13-29-25/h4-14,16H,15,17H2,1-3H3
InChIKeyTYFPYMSBPAGWHJ-UHFFFAOYSA-N
XLogP6.28
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267145
1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267133
4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
CID 58267209
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-methylsulfanylphenyl)propan-2-one
CID 58267060
3-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]benzonitrile
CID 58267146
1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267191
5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one
CID 58267215
N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 58447730
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
2-(1-benzofuran-5-yl)-2-phenoxypropanamide
CID 67174102
4-[1-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]cyclobutyl]benzonitrile
CID 58267139
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 46927797

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one?
The IUPAC name of 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one (CID 58267108) is 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one?
The canonical SMILES for 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one is Cc1cc(-c2ccc(CC(=O)CC(C)(C)c3ccc4occc4c3)cc2)ccn1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one?
The InChIKey is TYFPYMSBPAGWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-18-14-21(10-12-27-18)20-6-4-19(5-7-20)15-24(28)17-26(2,3)23-8-9-25-22(16-23)11-13-29-25/h4-14,16H,15,17H2,1-3H3.
What are the key properties of 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one?
4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one has a molecular weight of 383.49 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one is sourced from PubChem (CID 58267108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).