2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone

C19H17N3OS — CID 704124

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone
SMILESCc1c(C)n(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc12
InChIInChI=1S/C19H17N3OS/c1-12-13(2)22(17-10-6-3-7-14(12)17)18(23)11-24-19-20-15-8-4-5-9-16(15)21-19/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyCAPMCIXDPRWVQT-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.57
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone (PubChem CID 704124) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone
PubChem CID704124
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone
SMILESCc1c(C)n(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc12
InChIInChI=1S/C19H17N3OS/c1-12-13(2)22(17-10-6-3-7-14(12)17)18(23)11-24-19-20-15-8-4-5-9-16(15)21-19/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyCAPMCIXDPRWVQT-UHFFFAOYSA-N
XLogP4.57
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tcs 1102
CID 11960895
2-((1H-Benzimidazol-2-ylsulfinyl)methyl)-N,N-dimethylbenzenamine
CID 119157
Pyrrolidine-2,5-dione, 1-[4-(2-benzimidazolylthiomethyl)phenyl]-
CID 604704
1-[(1H-benzimidazol-2-ylthio)acetyl]-N-(1,1'-biphenyl-2-yl)-L-prolinamide
CID 44454577
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 776782
Leminoprazole
CID 65881
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-phenyl-
CID 207449
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-fluorobenzyl)acetamide
CID 2080354
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
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16319448

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone (CID 704124) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone is Cc1c(C)n(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc12.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone?
The InChIKey is CAPMCIXDPRWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-13(2)22(17-10-6-3-7-14(12)17)18(23)11-24-19-20-15-8-4-5-9-16(15)21-19/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone has a molecular weight of 335.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone is sourced from PubChem (CID 704124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).