2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

C20H20N4OS — CID 4819371

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Sc1nc(-c2ccccc2)cn1N)C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H20N4OS/c1-14(19(25)23-12-11-16-9-5-6-10-18(16)23)26-20-22-17(13-24(20)21)15-7-3-2-4-8-15/h2-10,13-14H,11-12,21H2,1H3
InChIKeyDSMDYUXLFXQNAX-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.33
Rot. Bonds4

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 4819371) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID4819371
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Sc1nc(-c2ccccc2)cn1N)C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H20N4OS/c1-14(19(25)23-12-11-16-9-5-6-10-18(16)23)26-20-22-17(13-24(20)21)15-7-3-2-4-8-15/h2-10,13-14H,11-12,21H2,1H3
InChIKeyDSMDYUXLFXQNAX-UHFFFAOYSA-N
XLogP3.33
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7415781
(2S)-2-(4-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51524524
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 43028761
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
(2S)-1-(2,3-dihydroindol-1-yl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755063
(2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide
CID 7152368
(2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7300208
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819311
(2R)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7284149
(2R)-1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7556506
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 40585953

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 4819371) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(Sc1nc(-c2ccccc2)cn1N)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is DSMDYUXLFXQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-14(19(25)23-12-11-16-9-5-6-10-18(16)23)26-20-22-17(13-24(20)21)15-7-3-2-4-8-15/h2-10,13-14H,11-12,21H2,1H3.
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 364.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 4819371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).