4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

C18H16N4O3S — CID 4817791

IUPAC4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)[nH]c2c1
InChIInChI=1S/C18H16N4O3S/c1-25-11-6-7-12-14(8-11)21-18(20-12)26-10-17(24)22-9-16(23)19-13-4-2-3-5-15(13)22/h2-8H,9-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyAGIQHOQFYQZUAW-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.65
Rot. Bonds4

About 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 4817791) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID4817791
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)[nH]c2c1
InChIInChI=1S/C18H16N4O3S/c1-25-11-6-7-12-14(8-11)21-18(20-12)26-10-17(24)22-9-16(23)19-13-4-2-3-5-15(13)22/h2-8H,9-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyAGIQHOQFYQZUAW-UHFFFAOYSA-N
XLogP2.65
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2441284
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
(4S)-4-methyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40505811
4-[4-(4-methoxyphenyl)sulfanylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 16864002
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 2650081
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 2858387
4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2089256
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1399536
(5R)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41176825
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 4817791) is 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is COc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)[nH]c2c1.
What is the InChIKey of 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is AGIQHOQFYQZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-25-11-6-7-12-14(8-11)21-18(20-12)26-10-17(24)22-9-16(23)19-13-4-2-3-5-15(13)22/h2-8H,9-10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 368.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 4817791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).