N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide

C26H24ClN3O3 — CID 24789133

IUPACN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)cc1OCC
InChIInChI=1S/C26H24ClN3O3/c1-3-32-23-13-10-18(14-24(23)33-4-2)26(31)29-19-11-12-21(27)20(15-19)25-28-16-22(30-25)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyQXEWJMOJVXUVEZ-UHFFFAOYSA-N
MW461.95 g/mol
LogP6.45
Rot. Bonds8

About N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide (PubChem CID 24789133) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide
PubChem CID24789133
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)cc1OCC
InChIInChI=1S/C26H24ClN3O3/c1-3-32-23-13-10-18(14-24(23)33-4-2)26(31)29-19-11-12-21(27)20(15-19)25-28-16-22(30-25)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyQXEWJMOJVXUVEZ-UHFFFAOYSA-N
XLogP6.45
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide (CID 24789133) is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)cc1OCC.
What is the InChIKey of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide?
The InChIKey is QXEWJMOJVXUVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-3-32-23-13-10-18(14-24(23)33-4-2)26(31)29-19-11-12-21(27)20(15-19)25-28-16-22(30-25)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide?
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide has a molecular weight of 461.95 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 24789133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).