5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol

C14H13N3OS — CID 135401427

IUPAC5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol
SMILESCSc1nc(/C=C2\C=Nc3ccccc32)c(O)n1C
InChIInChI=1S/C14H13N3OS/c1-17-13(18)12(16-14(17)19-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,18H,1-2H3/b9-7+
InChIKeyMCTZQXQVQNXLQM-VQHVLOKHSA-N
MW271.35 g/mol
LogP3.10
Rot. Bonds2

About 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol

5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol (PubChem CID 135401427) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol.

Molecular Properties

Compound Name5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol
PubChem CID135401427
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol
SMILESCSc1nc(/C=C2\C=Nc3ccccc32)c(O)n1C
InChIInChI=1S/C14H13N3OS/c1-17-13(18)12(16-14(17)19-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,18H,1-2H3/b9-7+
InChIKeyMCTZQXQVQNXLQM-VQHVLOKHSA-N
XLogP3.10
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol?
The IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol (CID 135401427) is 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol.
What is the SMILES notation for 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol?
The canonical SMILES for 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol is CSc1nc(/C=C2\C=Nc3ccccc32)c(O)n1C.
What is the InChIKey of 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol?
The InChIKey is MCTZQXQVQNXLQM-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-13(18)12(16-14(17)19-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,18H,1-2H3/b9-7+.
What are the key properties of 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol?
5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol has a molecular weight of 271.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-indol-3-ylidenemethyl]-3-methyl-2-methylsulfanylimidazol-4-ol is sourced from PubChem (CID 135401427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).