5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine

C22H20Cl2N2O2 — CID 66821923

IUPAC5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine
SMILESClc1ccc2c(c1)COC2=NC1(N=C2OCc3cc(Cl)ccc32)CCCCC1
InChIInChI=1S/C22H20Cl2N2O2/c23-16-4-6-18-14(10-16)12-27-20(18)25-22(8-2-1-3-9-22)26-21-19-7-5-17(24)11-15(19)13-28-21/h4-7,10-11H,1-3,8-9,12-13H2
InChIKeyFVQIFDRSMIFZHU-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.91
Rot. Bonds2

About 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine

5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine (PubChem CID 66821923) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine.

Molecular Properties

Compound Name5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine
PubChem CID66821923
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine
SMILESClc1ccc2c(c1)COC2=NC1(N=C2OCc3cc(Cl)ccc32)CCCCC1
InChIInChI=1S/C22H20Cl2N2O2/c23-16-4-6-18-14(10-16)12-27-20(18)25-22(8-2-1-3-9-22)26-21-19-7-5-17(24)11-15(19)13-28-21/h4-7,10-11H,1-3,8-9,12-13H2
InChIKeyFVQIFDRSMIFZHU-UHFFFAOYSA-N
XLogP5.91
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.91
H-Bond Donors ≤ 50
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 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine?
The IUPAC name of 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine (CID 66821923) is 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine.
What is the SMILES notation for 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine?
The canonical SMILES for 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine is Clc1ccc2c(c1)COC2=NC1(N=C2OCc3cc(Cl)ccc32)CCCCC1.
What is the InChIKey of 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine?
The InChIKey is FVQIFDRSMIFZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-16-4-6-18-14(10-16)12-27-20(18)25-22(8-2-1-3-9-22)26-21-19-7-5-17(24)11-15(19)13-28-21/h4-7,10-11H,1-3,8-9,12-13H2.
What are the key properties of 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine?
5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine has a molecular weight of 415.32 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(5-chloro-3H-2-benzofuran-1-ylidene)amino]cyclohexyl]-3H-2-benzofuran-1-imine is sourced from PubChem (CID 66821923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).