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

C14H14N4O — CID 135476741

IUPAC2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol
SMILES[H]/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C
InChIInChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15,19H,1-2H3/b9-7+,15-14-
InChIKeyCYKDGQFRORUDQP-TUMXXFCYSA-N
MW254.29 g/mol
LogP1.81
Rot. Bonds1

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

2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol (PubChem CID 135476741) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol.

Molecular Properties

Compound Name2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol
PubChem CID135476741
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol
SMILES[H]/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C
InChIInChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15,19H,1-2H3/b9-7+,15-14-
InChIKeyCYKDGQFRORUDQP-TUMXXFCYSA-N
XLogP1.81
TPSA66.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol?
The IUPAC name of 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol (CID 135476741) is 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol.
What is the SMILES notation for 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol?
The canonical SMILES for 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol is [H]/N=c1\n(C)c(O)c(/C=C2\C=Nc3ccccc32)n1C.
What is the InChIKey of 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol?
The InChIKey is CYKDGQFRORUDQP-TUMXXFCYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15,19H,1-2H3/b9-7+,15-14-.
What are the key properties of 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol?
2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol has a molecular weight of 254.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol is sourced from PubChem (CID 135476741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).