N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide

C19H18N4O2S — CID 18193397

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C19H18N4O2S/c1-12(24)23-9-8-13-10-14(6-7-17(13)23)20-18(25)11-26-19-21-15-4-2-3-5-16(15)22-19/h2-7,10H,8-9,11H2,1H3,(H,20,25)(H,21,22)
InChIKeyOGRFASZXKKEXHH-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.20
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide (PubChem CID 18193397) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
PubChem CID18193397
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C19H18N4O2S/c1-12(24)23-9-8-13-10-14(6-7-17(13)23)20-18(25)11-26-19-21-15-4-2-3-5-16(15)22-19/h2-7,10H,8-9,11H2,1H3,(H,20,25)(H,21,22)
InChIKeyOGRFASZXKKEXHH-UHFFFAOYSA-N
XLogP3.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
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2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
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2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide (CID 18193397) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide is CC(=O)N1CCc2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The InChIKey is OGRFASZXKKEXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12(24)23-9-8-13-10-14(6-7-17(13)23)20-18(25)11-26-19-21-15-4-2-3-5-16(15)22-19/h2-7,10H,8-9,11H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide has a molecular weight of 366.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 18193397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).