2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide

C17H17N3O2S — CID 583439

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2S/c1-22-15-9-5-4-8-14(15)20-17(21)11-23-10-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyRTDNZMVCIYJFIO-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.44
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide (PubChem CID 583439) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
PubChem CID583439
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2S/c1-22-15-9-5-4-8-14(15)20-17(21)11-23-10-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyRTDNZMVCIYJFIO-UHFFFAOYSA-N
XLogP3.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-chlorophenyl)acetamide
CID 8762462
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
CID 8713802
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8761822
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
CID 847863
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135518456
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide
CID 17447987
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153
3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 124754771

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide (CID 583439) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is RTDNZMVCIYJFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-15-9-5-4-8-14(15)20-17(21)11-23-10-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.44, 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-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 583439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).