(Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine

C25H17ClN2O — CID 145442379

IUPAC(Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine
SMILESC=Nc1c(/C(=N\CCl)c2ccc3oc4ccccc4c3c2)ccc2ccccc12
InChIInChI=1S/C25H17ClN2O/c1-27-25-18-7-3-2-6-16(18)10-12-20(25)24(28-15-26)17-11-13-23-21(14-17)19-8-4-5-9-22(19)29-23/h2-14H,1,15H2/b28-24-
InChIKeyFKLZCYSVTFCKCM-COOPMVRXSA-N
MW396.88 g/mol
LogP7.11
Rot. Bonds4

About (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine

(Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine (PubChem CID 145442379) has the molecular formula C25H17ClN2O and a molecular weight of 396.88 g/mol. Its IUPAC name is (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name(Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine
PubChem CID145442379
Molecular FormulaC25H17ClN2O
Molecular Weight396.88 g/mol
Exact Mass396.10
IUPAC Name(Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine
SMILESC=Nc1c(/C(=N\CCl)c2ccc3oc4ccccc4c3c2)ccc2ccccc12
InChIInChI=1S/C25H17ClN2O/c1-27-25-18-7-3-2-6-16(18)10-12-20(25)24(28-15-26)17-11-13-23-21(14-17)19-8-4-5-9-22(19)29-23/h2-14H,1,15H2/b28-24-
InChIKeyFKLZCYSVTFCKCM-COOPMVRXSA-N
XLogP7.11
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[N-(chloromethyl)-C-dibenzofuran-2-ylcarbonimidoyl]-2-(methylideneamino)ethanimidoyl chloride
CID 174096408
N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane
CID 142505018
2-prop-1-en-2-yldibenzofuran
CID 142504770
2,4-di(chrysen-3-yl)-6-dibenzofuran-2-yl-1,3,5-triazine
CID 158404878
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
dibenzofuran-2-yl(phenyl)methanimine
CID 167230325
2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
CID 167087578
4-dibenzofuran-2-yl-4-oxo-2-[(4-phenylbenzoyl)amino]butanoic acid
CID 18325226

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine?
The IUPAC name of (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine (CID 145442379) is (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine.
What is the SMILES notation for (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine?
The canonical SMILES for (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine is C=Nc1c(/C(=N\CCl)c2ccc3oc4ccccc4c3c2)ccc2ccccc12.
What is the InChIKey of (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine?
The InChIKey is FKLZCYSVTFCKCM-COOPMVRXSA-N. The full InChI is InChI=1S/C25H17ClN2O/c1-27-25-18-7-3-2-6-16(18)10-12-20(25)24(28-15-26)17-11-13-23-21(14-17)19-8-4-5-9-22(19)29-23/h2-14H,1,15H2/b28-24-.
What are the key properties of (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine?
(Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine has a molecular weight of 396.88 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine is sourced from PubChem (CID 145442379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).