N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide

C20H16N4OS — CID 86917491

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H16N4OS/c25-19(13-26-14-9-11-21-12-10-14)22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)24-20/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyURFJRJCMSWKLDW-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.36
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 86917491) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID86917491
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H16N4OS/c25-19(13-26-14-9-11-21-12-10-14)22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)24-20/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyURFJRJCMSWKLDW-UHFFFAOYSA-N
XLogP4.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide 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-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
CID 7150618
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997603
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 78804367
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 163329363
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 134030127
N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 112809550
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide
CID 78843524
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
CID 2644334
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 94717593
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43817325

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide (CID 86917491) is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)Nc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is URFJRJCMSWKLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c25-19(13-26-14-9-11-21-12-10-14)22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)24-20/h1-12H,13H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 360.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 86917491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).