2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone

C17H12ClN3OS — CID 2081636

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H12ClN3OS/c18-10-5-6-14-15(7-10)21-17(20-14)23-9-16(22)12-8-19-13-4-2-1-3-11(12)13/h1-8,19H,9H2,(H,20,21)
InChIKeyLDBMUOFBARYYRY-UHFFFAOYSA-N
MW341.82 g/mol
LogP4.67
Rot. Bonds4

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone (PubChem CID 2081636) has the molecular formula C17H12ClN3OS and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
PubChem CID2081636
Molecular FormulaC17H12ClN3OS
Molecular Weight341.82 g/mol
Exact Mass341.04
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H12ClN3OS/c18-10-5-6-14-15(7-10)21-17(20-14)23-9-16(22)12-8-19-13-4-2-1-3-11(12)13/h1-8,19H,9H2,(H,20,21)
InChIKeyLDBMUOFBARYYRY-UHFFFAOYSA-N
XLogP4.67
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-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

2-[(6-chloro-4H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 2570256
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone
CID 2368552
1-[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]propan-1-one
CID 22022397
(6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
CID 118899470
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947342
2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 2424622
1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 2522847
1-(1H-indol-3-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 3894771
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(1H-imidazol-2-yl)methanone
CID 20730276
Methanone, (5-chloro-2-((2-(1H-imidazol-2-ylthio)ethyl)amino)phenyl)phenyl-
CID 3080485
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone
CID 399624
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2078200

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone (CID 2081636) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone is O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is LDBMUOFBARYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3OS/c18-10-5-6-14-15(7-10)21-17(20-14)23-9-16(22)12-8-19-13-4-2-1-3-11(12)13/h1-8,19H,9H2,(H,20,21).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 341.82 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 2081636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).