6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole

C17H14ClN3S — CID 90710556

IUPAC6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole
SMILESCCSc1nc2cc(-c3ccc4[nH]ccc4c3)c(Cl)cc2[nH]1
InChIInChI=1S/C17H14ClN3S/c1-2-22-17-20-15-8-12(13(18)9-16(15)21-17)10-3-4-14-11(7-10)5-6-19-14/h3-9,19H,2H2,1H3,(H,20,21)
InChIKeyNILOQTKNHIQDPS-UHFFFAOYSA-N
MW327.84 g/mol
LogP5.48
Rot. Bonds3

About 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole

6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole (PubChem CID 90710556) has the molecular formula C17H14ClN3S and a molecular weight of 327.84 g/mol. Its IUPAC name is 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole
PubChem CID90710556
Molecular FormulaC17H14ClN3S
Molecular Weight327.84 g/mol
Exact Mass327.06
IUPAC Name6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole
SMILESCCSc1nc2cc(-c3ccc4[nH]ccc4c3)c(Cl)cc2[nH]1
InChIInChI=1S/C17H14ClN3S/c1-2-22-17-20-15-8-12(13(18)9-16(15)21-17)10-3-4-14-11(7-10)5-6-19-14/h3-9,19H,2H2,1H3,(H,20,21)
InChIKeyNILOQTKNHIQDPS-UHFFFAOYSA-N
XLogP5.48
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.84
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole 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

6-chloro-2-ethylsulfanyl-5-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 58422985
6-chloro-5-(1-methylindol-5-yl)-2-(2-methylpropylsulfanyl)-1H-benzimidazole
CID 91385785
5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
2-[[5-(1,3-benzodioxol-5-yl)-6-chloro-1H-benzimidazol-2-yl]sulfanyl]acetic acid
CID 58387209
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole
CID 134329054
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
6-chloro-2-(1H-indol-5-yl)quinoline
CID 67344104
2-[[5-(2-aminophenyl)-6-chloro-1H-benzimidazol-2-yl]sulfanyl]acetaldehyde
CID 88911306
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 118428722
5-(4-tert-butylphenyl)-1H-indole
CID 16768580

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole (CID 90710556) is 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole is CCSc1nc2cc(-c3ccc4[nH]ccc4c3)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole?
The InChIKey is NILOQTKNHIQDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3S/c1-2-22-17-20-15-8-12(13(18)9-16(15)21-17)10-3-4-14-11(7-10)5-6-19-14/h3-9,19H,2H2,1H3,(H,20,21).
What are the key properties of 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole?
6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole has a molecular weight of 327.84 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylsulfanyl-5-(1H-indol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 90710556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).