5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol

C14H13N3O — CID 136691181

IUPAC5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol
SMILESCc1nc(C=C2C=Nc3ccccc32)c(O)n1C
InChIInChI=1S/C14H13N3O/c1-9-16-13(14(18)17(9)2)7-10-8-15-12-6-4-3-5-11(10)12/h3-8,18H,1-2H3
InChIKeyFDDJOFYCXYELQV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.69
Rot. Bonds1

About 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol

5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol (PubChem CID 136691181) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol.

Molecular Properties

Compound Name5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol
PubChem CID136691181
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol
SMILESCc1nc(C=C2C=Nc3ccccc32)c(O)n1C
InChIInChI=1S/C14H13N3O/c1-9-16-13(14(18)17(9)2)7-10-8-15-12-6-4-3-5-11(10)12/h3-8,18H,1-2H3
InChIKeyFDDJOFYCXYELQV-UHFFFAOYSA-N
XLogP2.69
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1H-indol-3-ylmethylene)-3-methyl-2-(methylsulfanyl)-3,5-dihydro-4H-imidazol-4-one
CID 135401427
Isoplysin A
CID 135465870
2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol
CID 135474338
(5Z)-2-imino-5-(1H-indol-3-ylmethylidene)-1-methylimidazolidin-4-one
CID 135511529
2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135514796
2-amino-5-[(E)-(5-bromoindol-3-ylidene)methyl]-1-methylimidazol-4-ol
CID 136016509
2-amino-5-[(Z)-(4-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol
CID 136118613
2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol
CID 136118614
2-amino-5-[(Z)-(7-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol
CID 136118615
5-[(Z)-(4-bromoindol-3-ylidene)methyl]-1-methyl-2-(methylamino)imidazol-4-ol
CID 136118616
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-methyl-2-(methylamino)imidazol-4-ol
CID 136118617
5-[(Z)-(6-bromoindol-3-ylidene)methyl]-1-methyl-2-(methylamino)imidazol-4-ol
CID 136118618

Frequently Asked Questions

What is the IUPAC name of 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol?
The IUPAC name of 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol (CID 136691181) is 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol.
What is the SMILES notation for 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol?
The canonical SMILES for 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol is Cc1nc(C=C2C=Nc3ccccc32)c(O)n1C.
What is the InChIKey of 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol?
The InChIKey is FDDJOFYCXYELQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-16-13(14(18)17(9)2)7-10-8-15-12-6-4-3-5-11(10)12/h3-8,18H,1-2H3.
What are the key properties of 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol?
5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol has a molecular weight of 239.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol is sourced from PubChem (CID 136691181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).