5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol

C15H16N4O — CID 135449090

IUPAC5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol
SMILESC/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C
InChIInChI=1S/C15H16N4O/c1-16-15-18(2)13(14(20)19(15)3)8-10-9-17-12-7-5-4-6-11(10)12/h4-9,20H,1-3H3/b10-8+,16-15-
InChIKeyNPZLCZOPHDKHEZ-BLOHFXACSA-N
MW268.32 g/mol
LogP1.86
Rot. Bonds1

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

5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol (PubChem CID 135449090) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol.

Molecular Properties

Compound Name5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol
PubChem CID135449090
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol
SMILESC/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C
InChIInChI=1S/C15H16N4O/c1-16-15-18(2)13(14(20)19(15)3)8-10-9-17-12-7-5-4-6-11(10)12/h4-9,20H,1-3H3/b10-8+,16-15-
InChIKeyNPZLCZOPHDKHEZ-BLOHFXACSA-N
XLogP1.86
TPSA54.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Imidazolidinone, 5-((6-bromo-1H-indol-3-yl)methylene)-2-imino-1,3-dimethyl-
CID 135433933
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-[(E)-(5-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
CID 136016503
5-[(E)-(6-chloroindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
CID 136016511
5-[(Z)-(4-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
CID 136118620
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

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol?
The IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol (CID 135449090) is 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol.
What is the SMILES notation for 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol?
The canonical SMILES for 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol is C/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C.
What is the InChIKey of 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol?
The InChIKey is NPZLCZOPHDKHEZ-BLOHFXACSA-N. The full InChI is InChI=1S/C15H16N4O/c1-16-15-18(2)13(14(20)19(15)3)8-10-9-17-12-7-5-4-6-11(10)12/h4-9,20H,1-3H3/b10-8+,16-15-.
What are the key properties of 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol?
5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol has a molecular weight of 268.32 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol is sourced from PubChem (CID 135449090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).