N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide

C23H22N4OS — CID 46347470

IUPACN-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2n1Cc1ccncc1)c1ccccc1
InChIInChI=1S/C23H22N4OS/c1-2-26(19-8-4-3-5-9-19)22(28)17-29-23-25-20-10-6-7-11-21(20)27(23)16-18-12-14-24-15-13-18/h3-15H,2,16-17H2,1H3
InChIKeyAMGSFQWHMJAWGO-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.62
Rot. Bonds7

About N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide

N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 46347470) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID46347470
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2n1Cc1ccncc1)c1ccccc1
InChIInChI=1S/C23H22N4OS/c1-2-26(19-8-4-3-5-9-19)22(28)17-29-23-25-20-10-6-7-11-21(20)27(23)16-18-12-14-24-15-13-18/h3-15H,2,16-17H2,1H3
InChIKeyAMGSFQWHMJAWGO-UHFFFAOYSA-N
XLogP4.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N,N-diethylacetamide
CID 1470365
N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 7246599
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 43814509
N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 46860836
2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 51366834
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 55468227
N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 30799052
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-ethyl-2-[2-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-phenylacetamide
CID 19242222
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide (CID 46347470) is N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide is CCN(C(=O)CSc1nc2ccccc2n1Cc1ccncc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is AMGSFQWHMJAWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-2-26(19-8-4-3-5-9-19)22(28)17-29-23-25-20-10-6-7-11-21(20)27(23)16-18-12-14-24-15-13-18/h3-15H,2,16-17H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide?
N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 402.52 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 46347470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).