5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine

C27H33NO2 — CID 170184461

IUPAC5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine
SMILESCC(C)c1ccc2oc(C(C)(C)CC(C)c3ccc4oc(C(C)C)cc4n3)cc2c1
InChIInChI=1S/C27H33NO2/c1-16(2)19-8-10-23-20(12-19)13-26(30-23)27(6,7)15-18(5)21-9-11-24-22(28-21)14-25(29-24)17(3)4/h8-14,16-18H,15H2,1-7H3
InChIKeyOITZMZMLUMWPQJ-UHFFFAOYSA-N
MW403.57 g/mol
LogP8.29
Rot. Bonds6

About 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine

5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine (PubChem CID 170184461) has the molecular formula C27H33NO2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine
PubChem CID170184461
Molecular FormulaC27H33NO2
Molecular Weight403.57 g/mol
Exact Mass403.25
IUPAC Name5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine
SMILESCC(C)c1ccc2oc(C(C)(C)CC(C)c3ccc4oc(C(C)C)cc4n3)cc2c1
InChIInChI=1S/C27H33NO2/c1-16(2)19-8-10-23-20(12-19)13-26(30-23)27(6,7)15-18(5)21-9-11-24-22(28-21)14-25(29-24)17(3)4/h8-14,16-18H,15H2,1-7H3
InChIKeyOITZMZMLUMWPQJ-UHFFFAOYSA-N
XLogP8.29
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733754
2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol
CID 101417419
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230268
3-methyl-6-propan-2-ylchromen-2-one
CID 54590794
2-propan-2-yl-1-benzofuran-5-amine
CID 144729089
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
CID 135511528
2-(4,4-dimethylpentan-2-yl)-5-propan-2-ylpyridine
CID 157318275
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine?
The IUPAC name of 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine (CID 170184461) is 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine?
The canonical SMILES for 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine is CC(C)c1ccc2oc(C(C)(C)CC(C)c3ccc4oc(C(C)C)cc4n3)cc2c1.
What is the InChIKey of 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine?
The InChIKey is OITZMZMLUMWPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO2/c1-16(2)19-8-10-23-20(12-19)13-26(30-23)27(6,7)15-18(5)21-9-11-24-22(28-21)14-25(29-24)17(3)4/h8-14,16-18H,15H2,1-7H3.
What are the key properties of 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine?
5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine has a molecular weight of 403.57 g/mol, XLogP of 8.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-4-(5-propan-2-yl-1-benzofuran-2-yl)pentan-2-yl]-2-propan-2-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 170184461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).