4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione

C18H13N3OS — CID 135489813

IUPAC4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
SMILESOc1[nH]c(=S)[nH]c1/C=C1\C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C18H13N3OS/c22-17-15(20-18(23)21-17)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-10,22H,(H2,20,21,23)/b13-10-
InChIKeySTSUTNPXPCSUDU-RAXLEYEMSA-N
MW319.39 g/mol
LogP4.45
Rot. Bonds2

About 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione

4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 135489813) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID135489813
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
SMILESOc1[nH]c(=S)[nH]c1/C=C1\C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C18H13N3OS/c22-17-15(20-18(23)21-17)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-10,22H,(H2,20,21,23)/b13-10-
InChIKeySTSUTNPXPCSUDU-RAXLEYEMSA-N
XLogP4.45
TPSA64.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione (CID 135489813) is 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione is Oc1[nH]c(=S)[nH]c1/C=C1\C(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is STSUTNPXPCSUDU-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H13N3OS/c22-17-15(20-18(23)21-17)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-10,22H,(H2,20,21,23)/b13-10-.
What are the key properties of 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione?
4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 319.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 135489813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).