N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

C17H16ClN3O2S — CID 3274150

IUPACN-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C17H16ClN3O2S/c1-10-3-4-11(7-13(10)18)19-16(22)9-24-17-20-14-6-5-12(23-2)8-15(14)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUIXREUICILLTJN-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.26
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 3274150) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID3274150
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C17H16ClN3O2S/c1-10-3-4-11(7-13(10)18)19-16(22)9-24-17-20-14-6-5-12(23-2)8-15(14)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUIXREUICILLTJN-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 N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 3274150) is N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is UIXREUICILLTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-10-3-4-11(7-13(10)18)19-16(22)9-24-17-20-14-6-5-12(23-2)8-15(14)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]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 N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3274150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).