4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one

C14H13N3O2 — CID 135753564

IUPAC4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one
SMILESCn1c(O)c(/C=C2\C=Nc3ccccc32)n(C)c1=O
InChIInChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,18H,1-2H3/b9-7+
InChIKeyDHUPBMIFSWBVAR-VQHVLOKHSA-N
MW255.28 g/mol
LogP1.69
Rot. Bonds1

About 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one

4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one (PubChem CID 135753564) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one
PubChem CID135753564
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one
SMILESCn1c(O)c(/C=C2\C=Nc3ccccc32)n(C)c1=O
InChIInChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,18H,1-2H3/b9-7+
InChIKeyDHUPBMIFSWBVAR-VQHVLOKHSA-N
XLogP1.69
TPSA59.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-3'-ethylaplysinopsin
CID 135412764
Aplysinopsin
CID 135476741
3-ethyl-5-[(E)-(6-fluoroindol-3-ylidene)methyl]-2-imino-1-methylimidazol-4-ol
CID 136016497
5-[(E)-(6-fluoroindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
CID 136016507
3-ethyl-2-imino-5-[(E)-indol-3-ylidenemethyl]-1-methylimidazol-4-ol
CID 136016513
5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CID 135411750
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135448748
Methylaplysinopsin
CID 135449090
1,3-Diethyl-5-(1H-indol-3-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione
CID 135457340
1,3-dimethyl-5-{[(3-methylphenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1375946
1,3-Dimethyl-5-{[(4-methylphenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione
CID 2179717
5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
CID 135753560

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one?
The IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one (CID 135753564) is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one is Cn1c(O)c(/C=C2\C=Nc3ccccc32)n(C)c1=O.
What is the InChIKey of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one?
The InChIKey is DHUPBMIFSWBVAR-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)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 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one?
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-2-one is sourced from PubChem (CID 135753564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).