2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C17H16ClN3O2S — CID 2336882

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16ClN3O2S/c1-10-7-14(15(23-2)8-11(10)18)19-16(22)9-24-17-20-12-5-3-4-6-13(12)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBJXSZBUBYMXCPA-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.26
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 2336882) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID2336882
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16ClN3O2S/c1-10-7-14(15(23-2)8-11(10)18)19-16(22)9-24-17-20-12-5-3-4-6-13(12)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBJXSZBUBYMXCPA-UHFFFAOYSA-N
XLogP4.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 2336882) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is BJXSZBUBYMXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-10-7-14(15(23-2)8-11(10)18)19-16(22)9-24-17-20-12-5-3-4-6-13(12)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 2336882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).