2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide

C20H23N3O2S — CID 4026208

IUPAC2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCOCCn1c(SCC(=O)NC(C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O2S/c1-15(16-8-4-3-5-9-16)21-19(24)14-26-20-22-17-10-6-7-11-18(17)23(20)12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24)
InChIKeyCOSIPPOESYNYKX-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.65
Rot. Bonds8

About 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide

2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 4026208) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID4026208
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCOCCn1c(SCC(=O)NC(C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O2S/c1-15(16-8-4-3-5-9-16)21-19(24)14-26-20-22-17-10-6-7-11-18(17)23(20)12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24)
InChIKeyCOSIPPOESYNYKX-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 41103568
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
N-[(1S)-1-phenylethyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251190
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2611286
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 98514360
N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 42966797
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 9262745
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 9262748
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51261747
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16505827
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide (CID 4026208) is 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide is COCCn1c(SCC(=O)NC(C)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is COSIPPOESYNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15(16-8-4-3-5-9-16)21-19(24)14-26-20-22-17-10-6-7-11-18(17)23(20)12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24).
What are the key properties of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4026208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).