N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide

C18H13ClN4O2 — CID 57401825

IUPACN-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ncco2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4O2/c19-12-5-7-13(8-6-12)21-16(24)11-23-15-4-2-1-3-14(15)22-17(23)18-20-9-10-25-18/h1-10H,11H2,(H,21,24)
InChIKeyZYNDDSSIMFYWDB-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.98
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide

N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 57401825) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide
PubChem CID57401825
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC NameN-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ncco2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4O2/c19-12-5-7-13(8-6-12)21-16(24)11-23-15-4-2-1-3-14(15)22-17(23)18-20-9-10-25-18/h1-10H,11H2,(H,21,24)
InChIKeyZYNDDSSIMFYWDB-UHFFFAOYSA-N
XLogP3.98
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide (CID 57401825) is N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2ncco2)nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is ZYNDDSSIMFYWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-12-5-7-13(8-6-12)21-16(24)11-23-15-4-2-1-3-14(15)22-17(23)18-20-9-10-25-18/h1-10H,11H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 352.78 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(1,3-oxazol-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 57401825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).