2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol

C16H18N4O — CID 135412764

IUPAC2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol
SMILESCC/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C
InChIInChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,21H,4H2,1-3H3/b11-9+,17-16-
InChIKeyUIFLDXAMSCVLFF-MAALQDTGSA-N
MW282.35 g/mol
LogP2.25
Rot. Bonds2

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

2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol (PubChem CID 135412764) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol.

Molecular Properties

Compound Name2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol
PubChem CID135412764
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol
SMILESCC/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C
InChIInChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,21H,4H2,1-3H3/b11-9+,17-16-
InChIKeyUIFLDXAMSCVLFF-MAALQDTGSA-N
XLogP2.25
TPSA54.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
Methylaplysinopsin
CID 135449090
5-[(Z)-(4-bromoindol-3-ylidene)methyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol
CID 136118658
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol
CID 136118659
5-[(Z)-(6-bromoindol-3-ylidene)methyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol
CID 136118660
5-[(Z)-(7-bromoindol-3-ylidene)methyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol
CID 136118661
5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
CID 135753560
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione
CID 135670376
3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazole-2-thione
CID 135745856

Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol?
The IUPAC name of 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol (CID 135412764) is 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol.
What is the SMILES notation for 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol?
The canonical SMILES for 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol is CC/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C.
What is the InChIKey of 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol?
The InChIKey is UIFLDXAMSCVLFF-MAALQDTGSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,21H,4H2,1-3H3/b11-9+,17-16-.
What are the key properties of 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol?
2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol has a molecular weight of 282.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol is sourced from PubChem (CID 135412764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).