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

C17H13ClN4OS — CID 144997221

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CSc3nc4ccc(Cl)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C17H13ClN4OS/c1-9-2-4-11-13(6-9)21-22-16(11)15(23)8-24-17-19-12-5-3-10(18)7-14(12)20-17/h2-7H,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyNWQMLUOXISNJNF-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.38
Rot. Bonds4

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

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone (PubChem CID 144997221) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone
PubChem CID144997221
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CSc3nc4ccc(Cl)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C17H13ClN4OS/c1-9-2-4-11-13(6-9)21-22-16(11)15(23)8-24-17-19-12-5-3-10(18)7-14(12)20-17/h2-7H,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyNWQMLUOXISNJNF-UHFFFAOYSA-N
XLogP4.38
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone with MolForge

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone
CID 118649512
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
1-(4-chlorophenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 854784
2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7246755
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
methyl 5-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 112775621
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924
2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
CID 923736
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084598
2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol
CID 4883267

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone (CID 144997221) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone is Cc1ccc2c(C(=O)CSc3nc4ccc(Cl)cc4[nH]3)n[nH]c2c1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone?
The InChIKey is NWQMLUOXISNJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS/c1-9-2-4-11-13(6-9)21-22-16(11)15(23)8-24-17-19-12-5-3-10(18)7-14(12)20-17/h2-7H,8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone has a molecular weight of 356.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone is sourced from PubChem (CID 144997221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).