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

C17H12Cl2N4OS — CID 118649512

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone
SMILESCn1nc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c2ccc(Cl)cc21
InChIInChI=1S/C17H12Cl2N4OS/c1-23-14-7-10(19)2-4-11(14)16(22-23)15(24)8-25-17-20-12-5-3-9(18)6-13(12)21-17/h2-7H,8H2,1H3,(H,20,21)
InChIKeyMRVDCHWJMNUCKH-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.73
Rot. Bonds4

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

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone (PubChem CID 118649512) has the molecular formula C17H12Cl2N4OS and a molecular weight of 391.28 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone
PubChem CID118649512
Molecular FormulaC17H12Cl2N4OS
Molecular Weight391.28 g/mol
Exact Mass390.01
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone
SMILESCn1nc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c2ccc(Cl)cc21
InChIInChI=1S/C17H12Cl2N4OS/c1-23-14-7-10(19)2-4-11(14)16(22-23)15(24)8-25-17-20-12-5-3-9(18)6-13(12)21-17/h2-7H,8H2,1H3,(H,20,21)
InChIKeyMRVDCHWJMNUCKH-UHFFFAOYSA-N
XLogP4.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone
CID 144997221
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
CID 43218263
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2161102
methyl 5-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 112775621
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide
CID 7246760
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2650215
1-(4-chlorophenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 854784
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 863936
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084598

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone (CID 118649512) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone is Cn1nc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c2ccc(Cl)cc21.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone?
The InChIKey is MRVDCHWJMNUCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4OS/c1-23-14-7-10(19)2-4-11(14)16(22-23)15(24)8-25-17-20-12-5-3-9(18)6-13(12)21-17/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone has a molecular weight of 391.28 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-chloro-1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 118649512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).