2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone

C14H12N2OS2 — CID 13157327

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCn1c(SCC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C14H12N2OS2/c1-16-11-6-3-2-5-10(11)15-14(16)19-9-12(17)13-7-4-8-18-13/h2-8H,9H2,1H3
InChIKeyTVIJDNYIGAPQPR-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.61
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone

2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone (PubChem CID 13157327) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
PubChem CID13157327
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCn1c(SCC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C14H12N2OS2/c1-16-11-6-3-2-5-10(11)15-14(16)19-9-12(17)13-7-4-8-18-13/h2-8H,9H2,1H3
InChIKeyTVIJDNYIGAPQPR-UHFFFAOYSA-N
XLogP3.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
CID 7856825
1,3,7-trimethyl-8-(2-oxo-2-thiophen-2-ylethyl)sulfanylpurine-2,6-dione
CID 3186620
5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one
CID 40829649
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 3414962
1-thiophen-2-yl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
CID 706047
6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 3922487
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 82358968

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone (CID 13157327) is 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone is Cn1c(SCC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is TVIJDNYIGAPQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-16-11-6-3-2-5-10(11)15-14(16)19-9-12(17)13-7-4-8-18-13/h2-8H,9H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 288.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 13157327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).