2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol

C12H10N4O — CID 135514796

IUPAC2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESNc1nc(O)c(/C=C2\C=Nc3ccccc32)[nH]1
InChIInChI=1S/C12H10N4O/c13-12-15-10(11(17)16-12)5-7-6-14-9-4-2-1-3-8(7)9/h1-6,17H,(H3,13,15,16)/b7-5+
InChIKeyPJYWXTLQCGHUIE-FNORWQNLSA-N
MW226.24 g/mol
LogP1.95
Rot. Bonds1

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

2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135514796) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135514796
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESNc1nc(O)c(/C=C2\C=Nc3ccccc32)[nH]1
InChIInChI=1S/C12H10N4O/c13-12-15-10(11(17)16-12)5-7-6-14-9-4-2-1-3-8(7)9/h1-6,17H,(H3,13,15,16)/b7-5+
InChIKeyPJYWXTLQCGHUIE-FNORWQNLSA-N
XLogP1.95
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135514796) is 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol is Nc1nc(O)c(/C=C2\C=Nc3ccccc32)[nH]1.
What is the InChIKey of 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is PJYWXTLQCGHUIE-FNORWQNLSA-N. The full InChI is InChI=1S/C12H10N4O/c13-12-15-10(11(17)16-12)5-7-6-14-9-4-2-1-3-8(7)9/h1-6,17H,(H3,13,15,16)/b7-5+.
What are the key properties of 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol?
2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 226.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135514796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).