3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine

C27H26Cl2N4O — CID 141180584

IUPAC3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine
SMILESClc1ccc(-c2cnc(Cc3ccc(-c4ccc(OCC5CCCCC5)nn4)cc3)[nH]2)c(Cl)c1
InChIInChI=1S/C27H26Cl2N4O/c28-21-10-11-22(23(29)15-21)25-16-30-26(31-25)14-18-6-8-20(9-7-18)24-12-13-27(33-32-24)34-17-19-4-2-1-3-5-19/h6-13,15-16,19H,1-5,14,17H2,(H,30,31)
InChIKeyLICSTTSTCZWIEU-UHFFFAOYSA-N
MW493.44 g/mol
LogP7.39
Rot. Bonds7

About 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine

3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine (PubChem CID 141180584) has the molecular formula C27H26Cl2N4O and a molecular weight of 493.44 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine
PubChem CID141180584
Molecular FormulaC27H26Cl2N4O
Molecular Weight493.44 g/mol
Exact Mass492.15
IUPAC Name3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine
SMILESClc1ccc(-c2cnc(Cc3ccc(-c4ccc(OCC5CCCCC5)nn4)cc3)[nH]2)c(Cl)c1
InChIInChI=1S/C27H26Cl2N4O/c28-21-10-11-22(23(29)15-21)25-16-30-26(31-25)14-18-6-8-20(9-7-18)24-12-13-27(33-32-24)34-17-19-4-2-1-3-5-19/h6-13,15-16,19H,1-5,14,17H2,(H,30,31)
InChIKeyLICSTTSTCZWIEU-UHFFFAOYSA-N
XLogP7.39
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.44
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine?
The IUPAC name of 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine (CID 141180584) is 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine.
What is the SMILES notation for 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine?
The canonical SMILES for 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine is Clc1ccc(-c2cnc(Cc3ccc(-c4ccc(OCC5CCCCC5)nn4)cc3)[nH]2)c(Cl)c1.
What is the InChIKey of 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine?
The InChIKey is LICSTTSTCZWIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O/c28-21-10-11-22(23(29)15-21)25-16-30-26(31-25)14-18-6-8-20(9-7-18)24-12-13-27(33-32-24)34-17-19-4-2-1-3-5-19/h6-13,15-16,19H,1-5,14,17H2,(H,30,31).
What are the key properties of 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine?
3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine has a molecular weight of 493.44 g/mol, XLogP of 7.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-6-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]pyridazine is sourced from PubChem (CID 141180584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).