N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide

C29H30ClN3O2 — CID 23393138

IUPACN-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide
SMILESCCCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)[nH]c1Cl
InChIInChI=1S/C29H30ClN3O2/c1-4-5-15-25(35-24-17-16-19(2)18-20(24)3)29(34)31-23-14-10-9-13-22(23)26-27(30)33-28(32-26)21-11-7-6-8-12-21/h6-14,16-18,25H,4-5,15H2,1-3H3,(H,31,34)(H,32,33)
InChIKeyWCMVMSUSLQUDEP-UHFFFAOYSA-N
MW488.03 g/mol
LogP7.59
Rot. Bonds9

About N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide

N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide (PubChem CID 23393138) has the molecular formula C29H30ClN3O2 and a molecular weight of 488.03 g/mol. Its IUPAC name is N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide
PubChem CID23393138
Molecular FormulaC29H30ClN3O2
Molecular Weight488.03 g/mol
Exact Mass487.20
IUPAC NameN-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide
SMILESCCCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)[nH]c1Cl
InChIInChI=1S/C29H30ClN3O2/c1-4-5-15-25(35-24-17-16-19(2)18-20(24)3)29(34)31-23-14-10-9-13-22(23)26-27(30)33-28(32-26)21-11-7-6-8-12-21/h6-14,16-18,25H,4-5,15H2,1-3H3,(H,31,34)(H,32,33)
InChIKeyWCMVMSUSLQUDEP-UHFFFAOYSA-N
XLogP7.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide?
The IUPAC name of N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide (CID 23393138) is N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide.
What is the SMILES notation for N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide?
The canonical SMILES for N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide is CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)[nH]c1Cl.
What is the InChIKey of N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide?
The InChIKey is WCMVMSUSLQUDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O2/c1-4-5-15-25(35-24-17-16-19(2)18-20(24)3)29(34)31-23-14-10-9-13-22(23)26-27(30)33-28(32-26)21-11-7-6-8-12-21/h6-14,16-18,25H,4-5,15H2,1-3H3,(H,31,34)(H,32,33).
What are the key properties of N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide?
N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide has a molecular weight of 488.03 g/mol, XLogP of 7.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-2-(2,4-dimethylphenoxy)hexanamide is sourced from PubChem (CID 23393138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).