2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol

C13H12N4O — CID 135511529

IUPAC2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol
SMILESCn1c(N)nc(O)c1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C13H12N4O/c1-17-11(12(18)16-13(17)14)6-8-7-15-10-5-3-2-4-9(8)10/h2-7,18H,1H3,(H2,14,16)/b8-6-
InChIKeyDOXBWXKGIMEZIZ-VURMDHGXSA-N
MW240.27 g/mol
LogP1.96
Rot. Bonds1

About 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol

2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol (PubChem CID 135511529) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol
PubChem CID135511529
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol
SMILESCn1c(N)nc(O)c1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C13H12N4O/c1-17-11(12(18)16-13(17)14)6-8-7-15-10-5-3-2-4-9(8)10/h2-7,18H,1H3,(H2,14,16)/b8-6-
InChIKeyDOXBWXKGIMEZIZ-VURMDHGXSA-N
XLogP1.96
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol?
The IUPAC name of 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol (CID 135511529) is 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol.
What is the SMILES notation for 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol?
The canonical SMILES for 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol is Cn1c(N)nc(O)c1/C=C1/C=Nc2ccccc21.
What is the InChIKey of 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol?
The InChIKey is DOXBWXKGIMEZIZ-VURMDHGXSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17-11(12(18)16-13(17)14)6-8-7-15-10-5-3-2-4-9(8)10/h2-7,18H,1H3,(H2,14,16)/b8-6-.
What are the key properties of 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol?
2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol has a molecular weight of 240.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol is sourced from PubChem (CID 135511529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).