2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide

C18H19N3O2S — CID 18191831

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2S/c1-12(13-7-3-6-10-16(13)23-2)19-17(22)11-24-18-20-14-8-4-5-9-15(14)21-18/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAGCQTUUGCBLFSA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.54
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 18191831) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID18191831
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2S/c1-12(13-7-3-6-10-16(13)23-2)19-17(22)11-24-18-20-14-8-4-5-9-15(14)21-18/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAGCQTUUGCBLFSA-UHFFFAOYSA-N
XLogP3.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78797335
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7755957
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide
CID 7756256
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037855
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037856
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7755963
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 71905305
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 41030207
2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7756214
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1365966
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 18191831) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is AGCQTUUGCBLFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(13-7-3-6-10-16(13)23-2)19-17(22)11-24-18-20-14-8-4-5-9-15(14)21-18/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 18191831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).