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

C13H11N3OS — CID 135402990

IUPAC4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
SMILESCC1=Nc2ccccc2/C1=C/c1[nH]c(=S)[nH]c1O
InChIInChI=1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18)/b9-6+
InChIKeyBPJCCABLAZZIEJ-RMKNXTFCSA-N
MW257.32 g/mol
LogP3.42
Rot. Bonds1

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

4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 135402990) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID135402990
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
SMILESCC1=Nc2ccccc2/C1=C/c1[nH]c(=S)[nH]c1O
InChIInChI=1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18)/b9-6+
InChIKeyBPJCCABLAZZIEJ-RMKNXTFCSA-N
XLogP3.42
TPSA64.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Rhodanine, 5-(3-indolylmethylene)-
CID 135501994
5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CID 135411750
Cmnpd3494
CID 227252
(5Z)-4-hydroxy-5-(1H-indol-3-ylmethylidene)-1,3-thiazole-2(5H)-thione
CID 135420903
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione
CID 135670376
3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazole-2-thione
CID 135745856
(5Z)-5-[(2-phenyl-1H-indol-3-yl)methylene]-2-thioxo-imidazolidin-4-one
CID 135489813
5-(1H-indol-3-ylmethylene)-2-thioxo-4-imidazolidinone
CID 135966009
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1H-imidazole-2-thione
CID 172446004
5-hydroxy-4-[(Z)-indazol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione
CID 172447587
3-ethyl-4-hydroxy-5-[(Z)-indazol-3-ylidenemethyl]-1H-imidazole-2-thione
CID 172452273
4-hydroxy-5-[(Z)-indazol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione
CID 172458440

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione (CID 135402990) is 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione is CC1=Nc2ccccc2/C1=C/c1[nH]c(=S)[nH]c1O.
What is the InChIKey of 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is BPJCCABLAZZIEJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18)/b9-6+.
What are the key properties of 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione?
4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 257.32 g/mol, XLogP of 3.42, 1 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-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 135402990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).