2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide

C24H23N3OS — CID 46347454

IUPAC2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3OS/c1-2-26(20-13-7-4-8-14-20)23(28)18-29-24-25-21-15-9-10-16-22(21)27(24)17-19-11-5-3-6-12-19/h3-16H,2,17-18H2,1H3
InChIKeyKDWBWPVELBEKOO-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.23
Rot. Bonds7

About 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide (PubChem CID 46347454) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
PubChem CID46347454
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3OS/c1-2-26(20-13-7-4-8-14-20)23(28)18-29-24-25-21-15-9-10-16-22(21)27(24)17-19-11-5-3-6-12-19/h3-16H,2,17-18H2,1H3
InChIKeyKDWBWPVELBEKOO-UHFFFAOYSA-N
XLogP5.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
CID 46347470
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N,N-diethylacetamide
CID 1470365
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 7246599
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 55468227
N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 43814509
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 7309454
N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 46860836
1-benzyl-2-prop-2-enylsulfanylbenzimidazole
CID 46731894
N-ethyl-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 42988646
2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 51366834
N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 30799052

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide (CID 46347454) is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
The InChIKey is KDWBWPVELBEKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-2-26(20-13-7-4-8-14-20)23(28)18-29-24-25-21-15-9-10-16-22(21)27(24)17-19-11-5-3-6-12-19/h3-16H,2,17-18H2,1H3.
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide has a molecular weight of 401.54 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 46347454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).