1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine

C15H15N3OS — CID 71835016

IUPAC1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine
SMILESCCCSc1ccc2nc(N=Cc3ccco3)[nH]c2c1
InChIInChI=1S/C15H15N3OS/c1-2-8-20-12-5-6-13-14(9-12)18-15(17-13)16-10-11-4-3-7-19-11/h3-7,9-10H,2,8H2,1H3,(H,17,18)
InChIKeyOOFNZJPWVWFNHO-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.41
Rot. Bonds5

About 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine

1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine (PubChem CID 71835016) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine
PubChem CID71835016
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine
SMILESCCCSc1ccc2nc(N=Cc3ccco3)[nH]c2c1
InChIInChI=1S/C15H15N3OS/c1-2-8-20-12-5-6-13-14(9-12)18-15(17-13)16-10-11-4-3-7-19-11/h3-7,9-10H,2,8H2,1H3,(H,17,18)
InChIKeyOOFNZJPWVWFNHO-UHFFFAOYSA-N
XLogP4.41
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine?
The IUPAC name of 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine (CID 71835016) is 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine is CCCSc1ccc2nc(N=Cc3ccco3)[nH]c2c1.
What is the InChIKey of 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine?
The InChIKey is OOFNZJPWVWFNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-8-20-12-5-6-13-14(9-12)18-15(17-13)16-10-11-4-3-7-19-11/h3-7,9-10H,2,8H2,1H3,(H,17,18).
What are the key properties of 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine?
1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine has a molecular weight of 285.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine is sourced from PubChem (CID 71835016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).