N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide

C17H15N3O3S — CID 728051

IUPACN-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccc2nc(SCC(=O)NC(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H15N3O3S/c1-23-12-7-8-13-14(9-12)19-17(18-13)24-10-15(21)20-16(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyMKBNYDOITPNKKL-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.62
Rot. Bonds5

About N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide

N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide (PubChem CID 728051) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
PubChem CID728051
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccc2nc(SCC(=O)NC(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H15N3O3S/c1-23-12-7-8-13-14(9-12)19-17(18-13)24-10-15(21)20-16(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyMKBNYDOITPNKKL-UHFFFAOYSA-N
XLogP2.62
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
CID 40672353
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7152421
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 2858387
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1399536
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
N-(2,6-difluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2081440
dimethyl 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 18078072
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78797335
N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1414676
N-(2-ethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2610679

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide (CID 728051) is N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide is COc1ccc2nc(SCC(=O)NC(=O)c3ccccc3)[nH]c2c1.
What is the InChIKey of N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide?
The InChIKey is MKBNYDOITPNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-12-7-8-13-14(9-12)19-17(18-13)24-10-15(21)20-16(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)(H,20,21,22).
What are the key properties of N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide?
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 728051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).