1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine

C18H15NS — CID 13484483

IUPAC1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine
SMILESc1ccc(C(=NCc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C18H15NS/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)19-14-17-12-7-13-20-17/h1-13H,14H2
InChIKeyZMVYMGZOBJQVDY-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.79
Rot. Bonds4

About 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine

1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine (PubChem CID 13484483) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine
PubChem CID13484483
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine
SMILESc1ccc(C(=NCc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C18H15NS/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)19-14-17-12-7-13-20-17/h1-13H,14H2
InChIKeyZMVYMGZOBJQVDY-UHFFFAOYSA-N
XLogP4.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.79
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 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine?
The IUPAC name of 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine (CID 13484483) is 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine.
What is the SMILES notation for 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine?
The canonical SMILES for 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine is c1ccc(C(=NCc2cccs2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine?
The InChIKey is ZMVYMGZOBJQVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)19-14-17-12-7-13-20-17/h1-13H,14H2.
What are the key properties of 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine?
1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine has a molecular weight of 277.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine is sourced from PubChem (CID 13484483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).