N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine

C16H12N2O — CID 135983993

IUPACN-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine
SMILESc1coc(C/N=C2\Nc3cccc4cccc2c34)c1
InChIInChI=1S/C16H12N2O/c1-4-11-5-2-8-14-15(11)13(7-1)16(18-14)17-10-12-6-3-9-19-12/h1-9H,10H2,(H,17,18)
InChIKeyIRSHGLMTRIVHQA-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.81
Rot. Bonds2

About N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine

N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine (PubChem CID 135983993) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine
PubChem CID135983993
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC NameN-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine
SMILESc1coc(C/N=C2\Nc3cccc4cccc2c34)c1
InChIInChI=1S/C16H12N2O/c1-4-11-5-2-8-14-15(11)13(7-1)16(18-14)17-10-12-6-3-9-19-12/h1-9H,10H2,(H,17,18)
InChIKeyIRSHGLMTRIVHQA-UHFFFAOYSA-N
XLogP3.81
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
CID 175905688
N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine
CID 135992470
N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide
CID 137175512
2-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
CID 175905803
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 137292355
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735953
N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 155256392
N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine
CID 21317040
3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine
CID 136924410
(Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium
CID 154692891
N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine
CID 137104809
furan-2-ylmethyl(phenyl)diazene
CID 54435222

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine?
The IUPAC name of N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine (CID 135983993) is N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine?
The canonical SMILES for N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine is c1coc(C/N=C2\Nc3cccc4cccc2c34)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine?
The InChIKey is IRSHGLMTRIVHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-4-11-5-2-8-14-15(11)13(7-1)16(18-14)17-10-12-6-3-9-19-12/h1-9H,10H2,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine?
N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine has a molecular weight of 248.28 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine is sourced from PubChem (CID 135983993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).