2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C17H19N3OS — CID 4877756

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1C
InChIInChI=1S/C17H19N3OS/c1-11-9-13(12(2)19(11)3)16(21)10-22-17-18-14-7-5-6-8-15(14)20(17)4/h5-9H,10H2,1-4H3
InChIKeyJFFJBJRJHGSKIF-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.50
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 4877756) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID4877756
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1C
InChIInChI=1S/C17H19N3OS/c1-11-9-13(12(2)19(11)3)16(21)10-22-17-18-14-7-5-6-8-15(14)20(17)4/h5-9H,10H2,1-4H3
InChIKeyJFFJBJRJHGSKIF-UHFFFAOYSA-N
XLogP3.50
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-Dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethanone
CID 4881725
2-[2-(Hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 4882612
1-[1-Methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone
CID 976892
Butyrophenone, 4'-fluoro-4-(4-(2-methylthiobenzimidazol-1-yl)piperidino)-
CID 42537
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947342
1-[1-Methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]butan-1-one
CID 976899
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2079893
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2084345
2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone
CID 2114718
2-(1H-benzimidazol-2-ylsulfanyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 2374117
1-(2,5-Dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2551971
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 2998931

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 4877756) is 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1C.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is JFFJBJRJHGSKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-9-13(12(2)19(11)3)16(21)10-22-17-18-14-7-5-6-8-15(14)20(17)4/h5-9H,10H2,1-4H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 313.43 g/mol, XLogP of 3.50, 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-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 4877756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).