1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine

C19H19NS — CID 2824292

IUPAC1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine
SMILESCc1c(/C=N/c2ccc(C(C)C)cc2)sc2ccccc12
InChIInChI=1S/C19H19NS/c1-13(2)15-8-10-16(11-9-15)20-12-19-14(3)17-6-4-5-7-18(17)21-19/h4-13H,1-3H3/b20-12+
InChIKeyXVKHOFNHVMJEND-UDWIEESQSA-N
MW293.44 g/mol
LogP6.08
Rot. Bonds3

About 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine

1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine (PubChem CID 2824292) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine
PubChem CID2824292
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine
SMILESCc1c(/C=N/c2ccc(C(C)C)cc2)sc2ccccc12
InChIInChI=1S/C19H19NS/c1-13(2)15-8-10-16(11-9-15)20-12-19-14(3)17-6-4-5-7-18(17)21-19/h4-13H,1-3H3/b20-12+
InChIKeyXVKHOFNHVMJEND-UDWIEESQSA-N
XLogP6.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine (CID 2824292) is 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine is Cc1c(/C=N/c2ccc(C(C)C)cc2)sc2ccccc12.
What is the InChIKey of 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine?
The InChIKey is XVKHOFNHVMJEND-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19NS/c1-13(2)15-8-10-16(11-9-15)20-12-19-14(3)17-6-4-5-7-18(17)21-19/h4-13H,1-3H3/b20-12+.
What are the key properties of 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine?
1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine has a molecular weight of 293.44 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzothiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 2824292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).