5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol

C14H14N4O — CID 135465870

IUPAC5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol
SMILESCNc1nc(O)c(/C=C2\C=Nc3ccccc32)n1C
InChIInChI=1S/C14H14N4O/c1-15-14-17-13(19)12(18(14)2)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,19H,1-2H3,(H,15,17)/b9-7+
InChIKeyGSKWWDDODHMJCW-VQHVLOKHSA-N
MW254.29 g/mol
LogP2.42
Rot. Bonds2

About 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol

5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol (PubChem CID 135465870) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol.

Molecular Properties

Compound Name5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol
PubChem CID135465870
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol
SMILESCNc1nc(O)c(/C=C2\C=Nc3ccccc32)n1C
InChIInChI=1S/C14H14N4O/c1-15-14-17-13(19)12(18(14)2)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,19H,1-2H3,(H,15,17)/b9-7+
InChIKeyGSKWWDDODHMJCW-VQHVLOKHSA-N
XLogP2.42
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol?
The IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol (CID 135465870) is 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol.
What is the SMILES notation for 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol?
The canonical SMILES for 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol is CNc1nc(O)c(/C=C2\C=Nc3ccccc32)n1C.
What is the InChIKey of 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol?
The InChIKey is GSKWWDDODHMJCW-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H14N4O/c1-15-14-17-13(19)12(18(14)2)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,19H,1-2H3,(H,15,17)/b9-7+.
What are the key properties of 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol?
5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol has a molecular weight of 254.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-indol-3-ylidenemethyl]-1-methyl-2-(methylamino)imidazol-4-ol is sourced from PubChem (CID 135465870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).