N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide

C18H12Cl2N4OS — CID 57403530

IUPACN-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2nccs2)nc2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12Cl2N4OS/c19-12-6-5-11(9-13(12)20)22-16(25)10-24-15-4-2-1-3-14(15)23-17(24)18-21-7-8-26-18/h1-9H,10H2,(H,22,25)
InChIKeySPNOTYSLAPACTA-UHFFFAOYSA-N
MW403.29 g/mol
LogP5.11
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide

N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 57403530) has the molecular formula C18H12Cl2N4OS and a molecular weight of 403.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide
PubChem CID57403530
Molecular FormulaC18H12Cl2N4OS
Molecular Weight403.29 g/mol
Exact Mass402.01
IUPAC NameN-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2nccs2)nc2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12Cl2N4OS/c19-12-6-5-11(9-13(12)20)22-16(25)10-24-15-4-2-1-3-14(15)23-17(24)18-21-7-8-26-18/h1-9H,10H2,(H,22,25)
InChIKeySPNOTYSLAPACTA-UHFFFAOYSA-N
XLogP5.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide (CID 57403530) is N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2nccs2)nc2ccccc21)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is SPNOTYSLAPACTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4OS/c19-12-6-5-11(9-13(12)20)22-16(25)10-24-15-4-2-1-3-14(15)23-17(24)18-21-7-8-26-18/h1-9H,10H2,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 403.29 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 57403530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).