N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide

C22H16N4OS — CID 166190288

IUPACN-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide
SMILESN#Cc1ccc(SCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C22H16N4OS/c23-13-16-5-11-19(12-6-16)28-14-22(27)25-17-7-9-18(10-8-17)26-15-24-20-3-1-2-4-21(20)26/h1-12,15H,14H2,(H,25,27)
InChIKeyJUNMEVUWIQKXQO-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.63
Rot. Bonds5

About N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide

N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide (PubChem CID 166190288) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide
PubChem CID166190288
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide
SMILESN#Cc1ccc(SCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C22H16N4OS/c23-13-16-5-11-19(12-6-16)28-14-22(27)25-17-7-9-18(10-8-17)26-15-24-20-3-1-2-4-21(20)26/h1-12,15H,14H2,(H,25,27)
InChIKeyJUNMEVUWIQKXQO-UHFFFAOYSA-N
XLogP4.63
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
[2-(4-cyanoanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 4257908
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate
CID 4792894
7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
CID 119834351
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
CID 18140016
N-(4-cyanophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082662
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide (CID 166190288) is N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide is N#Cc1ccc(SCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide?
The InChIKey is JUNMEVUWIQKXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c23-13-16-5-11-19(12-6-16)28-14-22(27)25-17-7-9-18(10-8-17)26-15-24-20-3-1-2-4-21(20)26/h1-12,15H,14H2,(H,25,27).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide?
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide has a molecular weight of 384.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide is sourced from PubChem (CID 166190288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).