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

C19H12ClN5OS — CID 57393086

IUPACN-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESN#Cc1cc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C19H12ClN5OS/c20-14-6-5-13(7-12(14)8-21)23-18(26)9-25-17-4-2-1-3-15(17)24-19(25)16-10-27-11-22-16/h1-7,10-11H,9H2,(H,23,26)
InChIKeyMTMZBNWINAKSGB-UHFFFAOYSA-N
MW393.86 g/mol
LogP4.32
Rot. Bonds4

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

N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 57393086) has the molecular formula C19H12ClN5OS and a molecular weight of 393.86 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID57393086
Molecular FormulaC19H12ClN5OS
Molecular Weight393.86 g/mol
Exact Mass393.05
IUPAC NameN-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESN#Cc1cc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C19H12ClN5OS/c20-14-6-5-13(7-12(14)8-21)23-18(26)9-25-17-4-2-1-3-15(17)24-19(25)16-10-27-11-22-16/h1-7,10-11H,9H2,(H,23,26)
InChIKeyMTMZBNWINAKSGB-UHFFFAOYSA-N
XLogP4.32
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 57393086) is N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is N#Cc1cc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is MTMZBNWINAKSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5OS/c20-14-6-5-13(7-12(14)8-21)23-18(26)9-25-17-4-2-1-3-15(17)24-19(25)16-10-27-11-22-16/h1-7,10-11H,9H2,(H,23,26).
What are the key properties of N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 393.86 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 57393086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).