1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline

C24H25NO — CID 167259543

IUPAC1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline
SMILESCc1cc2cc(C(C)C)cc(-c3nccc4cc(C(C)C)ccc34)c2o1
InChIInChI=1S/C24H25NO/c1-14(2)17-6-7-21-18(11-17)8-9-25-23(21)22-13-19(15(3)4)12-20-10-16(5)26-24(20)22/h6-15H,1-5H3
InChIKeyWNUJSEKIEPYVET-UHFFFAOYSA-N
MW343.47 g/mol
LogP7.20
Rot. Bonds3

About 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline

1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline (PubChem CID 167259543) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline
PubChem CID167259543
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline
SMILESCc1cc2cc(C(C)C)cc(-c3nccc4cc(C(C)C)ccc34)c2o1
InChIInChI=1S/C24H25NO/c1-14(2)17-6-7-21-18(11-17)8-9-25-23(21)22-13-19(15(3)4)12-20-10-16(5)26-24(20)22/h6-15H,1-5H3
InChIKeyWNUJSEKIEPYVET-UHFFFAOYSA-N
XLogP7.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline?
The IUPAC name of 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline (CID 167259543) is 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline.
What is the SMILES notation for 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline?
The canonical SMILES for 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline is Cc1cc2cc(C(C)C)cc(-c3nccc4cc(C(C)C)ccc34)c2o1.
What is the InChIKey of 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline?
The InChIKey is WNUJSEKIEPYVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-14(2)17-6-7-21-18(11-17)8-9-25-23(21)22-13-19(15(3)4)12-20-10-16(5)26-24(20)22/h6-15H,1-5H3.
What are the key properties of 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline?
1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline has a molecular weight of 343.47 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline is sourced from PubChem (CID 167259543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).