4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide

C17H16N4O2S — CID 2119148

IUPAC4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(C(N)=O)cc3)[nH]c2c1
InChIInChI=1S/C17H16N4O2S/c1-10-2-7-13-14(8-10)21-17(20-13)24-9-15(22)19-12-5-3-11(4-6-12)16(18)23/h2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyMLSTWWHFZYLLMB-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.70
Rot. Bonds5

About 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide

4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 2119148) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID2119148
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(C(N)=O)cc3)[nH]c2c1
InChIInChI=1S/C17H16N4O2S/c1-10-2-7-13-14(8-10)21-17(20-13)24-9-15(22)19-12-5-3-11(4-6-12)16(18)23/h2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyMLSTWWHFZYLLMB-UHFFFAOYSA-N
XLogP2.70
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide (CID 2119148) is 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide is Cc1ccc2nc(SCC(=O)Nc3ccc(C(N)=O)cc3)[nH]c2c1.
What is the InChIKey of 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is MLSTWWHFZYLLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-2-7-13-14(8-10)21-17(20-13)24-9-15(22)19-12-5-3-11(4-6-12)16(18)23/h2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21).
What are the key properties of 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide?
4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 340.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 2119148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).