2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

C18H15N3OS — CID 18165364

IUPAC2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
SMILESO=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H15N3OS/c22-17(20-11-10-13-6-4-5-9-15(13)20)16-12-19-18(23)21(16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23)
InChIKeyCWCXPGOQHAZNMO-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.74
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone (PubChem CID 18165364) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
PubChem CID18165364
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
SMILESO=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H15N3OS/c22-17(20-11-10-13-6-4-5-9-15(13)20)16-12-19-18(23)21(16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23)
InChIKeyCWCXPGOQHAZNMO-UHFFFAOYSA-N
XLogP3.74
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 97033158
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 39581666
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 17485339
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
(2-amino-1,3-oxazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 110857028
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 3887060
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 24544575
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone (CID 18165364) is 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone is O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone?
The InChIKey is CWCXPGOQHAZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-17(20-11-10-13-6-4-5-9-15(13)20)16-12-19-18(23)21(16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23).
What are the key properties of 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone?
2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone has a molecular weight of 321.41 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 18165364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).