1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine

C15H16N4O — CID 135050316

IUPAC1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine
SMILESCC(C)C/N=C(\c1ccco1)n1nnc2ccccc21
InChIInChI=1S/C15H16N4O/c1-11(2)10-16-15(14-8-5-9-20-14)19-13-7-4-3-6-12(13)17-18-19/h3-9,11H,10H2,1-2H3/b16-15+
InChIKeyIYBAFDRPRWIFNH-FOCLMDBBSA-N
MW268.32 g/mol
LogP2.98
Rot. Bonds3

About 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine

1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine (PubChem CID 135050316) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine
PubChem CID135050316
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine
SMILESCC(C)C/N=C(\c1ccco1)n1nnc2ccccc21
InChIInChI=1S/C15H16N4O/c1-11(2)10-16-15(14-8-5-9-20-14)19-13-7-4-3-6-12(13)17-18-19/h3-9,11H,10H2,1-2H3/b16-15+
InChIKeyIYBAFDRPRWIFNH-FOCLMDBBSA-N
XLogP2.98
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone
CID 3455013
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
2-[1-(benzotriazol-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 4827047
N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide
CID 4522483
N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62562505
2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
CID 5050404
(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
N-(2-phenylethyl)benzotriazole-1-carbothioamide
CID 23624596
1-(benzotriazol-1-yl)-N-hexadecylethanimine
CID 175138278
1-[furan-2-yl(phenyl)methyl]benzotriazole
CID 5142470
1-(3-methyl-1-methylsulfanylbutyl)benzotriazole
CID 3697894
benzotriazol-1-yl-[4-(2-methylpropoxy)phenyl]methanone
CID 4937009

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine?
The IUPAC name of 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine (CID 135050316) is 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine.
What is the SMILES notation for 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine?
The canonical SMILES for 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine is CC(C)C/N=C(\c1ccco1)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine?
The InChIKey is IYBAFDRPRWIFNH-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(2)10-16-15(14-8-5-9-20-14)19-13-7-4-3-6-12(13)17-18-19/h3-9,11H,10H2,1-2H3/b16-15+.
What are the key properties of 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine?
1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine has a molecular weight of 268.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2-methylpropyl)methanimine is sourced from PubChem (CID 135050316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).