2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C15H15N3OS2 — CID 2522994

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2nc(SCC(=O)NCc3cccs3)[nH]c2c1
InChIInChI=1S/C15H15N3OS2/c1-10-4-5-12-13(7-10)18-15(17-12)21-9-14(19)16-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyDEELKRQBAYZJBT-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.34
Rot. Bonds5

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2522994) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2522994
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2nc(SCC(=O)NCc3cccs3)[nH]c2c1
InChIInChI=1S/C15H15N3OS2/c1-10-4-5-12-13(7-10)18-15(17-12)21-9-14(19)16-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyDEELKRQBAYZJBT-UHFFFAOYSA-N
XLogP3.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-[4-(3-methylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581416
1,3-dimethyl-5-[4-phenyl-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581429
5-[4-(3-ethylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581658
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 776782
1,3-dimethyl-5-[4-(4-methylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581434
5-[4-(4-ethylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581665
7-Methyl-2-(thiophen-2'-yl)-1H-benzo[d]imidazole (11)
CID 60646299
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-fluorobenzyl)acetamide
CID 2080354
N-(1H-benzimidazol-2-yl)-3-methylthiophene-2-carboxamide
CID 2084198
N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2433271
2-[(5-methyl-1H-benzimidazol-2-yl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810019

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 2522994) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc2nc(SCC(=O)NCc3cccs3)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DEELKRQBAYZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-10-4-5-12-13(7-10)18-15(17-12)21-9-14(19)16-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 317.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2522994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).