1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

C19H19N3OS — CID 4819310

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one
SMILESCc1ccc2nc(SC(C)C(=O)N3CCc4ccccc43)[nH]c2c1
InChIInChI=1S/C19H19N3OS/c1-12-7-8-15-16(11-12)21-19(20-15)24-13(2)18(23)22-10-9-14-5-3-4-6-17(14)22/h3-8,11,13H,9-10H2,1-2H3,(H,20,21)
InChIKeyOAVQAVYOINVOHE-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.94
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one (PubChem CID 4819310) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one
PubChem CID4819310
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one
SMILESCc1ccc2nc(SC(C)C(=O)N3CCc4ccccc43)[nH]c2c1
InChIInChI=1S/C19H19N3OS/c1-12-7-8-15-16(11-12)21-19(20-15)24-13(2)18(23)22-10-9-14-5-3-4-6-17(14)22/h3-8,11,13H,9-10H2,1-2H3,(H,20,21)
InChIKeyOAVQAVYOINVOHE-UHFFFAOYSA-N
XLogP3.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one with MolForge

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Related Compounds

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 42885304
(2S)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2414001
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135720239
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 78462665
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 43028761
(2S)-1-(2,3-dihydroindol-1-yl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755063
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7415781
6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136934133
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819296
(2S)-1-(2,3-dihydroindol-1-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 7246575
N-(2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4216988
2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
CID 113207338

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one (CID 4819310) is 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one is Cc1ccc2nc(SC(C)C(=O)N3CCc4ccccc43)[nH]c2c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one?
The InChIKey is OAVQAVYOINVOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-7-8-15-16(11-12)21-19(20-15)24-13(2)18(23)22-10-9-14-5-3-4-6-17(14)22/h3-8,11,13H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one has a molecular weight of 337.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 4819310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).