(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium

C8H12N3+ — CID 91232423

IUPAC(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium
SMILESC=[N+]=C1NC(CC)=NC1=CC
InChIInChI=1S/C8H11N3/c1-4-6-8(9-3)11-7(5-2)10-6/h4H,3,5H2,1-2H3/p+1
InChIKeyUULOLSUAFZBBME-UHFFFAOYSA-O
MW150.20 g/mol
LogP0.47
Rot. Bonds1

About (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium

(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium (PubChem CID 91232423) has the molecular formula C8H12N3+ and a molecular weight of 150.20 g/mol. Its IUPAC name is (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium.

Molecular Properties

Compound Name(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium
PubChem CID91232423
Molecular FormulaC8H12N3+
Molecular Weight150.20 g/mol
Exact Mass150.10
IUPAC Name(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium
SMILESC=[N+]=C1NC(CC)=NC1=CC
InChIInChI=1S/C8H11N3/c1-4-6-8(9-3)11-7(5-2)10-6/h4H,3,5H2,1-2H3/p+1
InChIKeyUULOLSUAFZBBME-UHFFFAOYSA-O
XLogP0.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4,5-dimethylidene-1H-imidazole
CID 91247008
(4E,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 129019078
(4E,5E)-4,5-di(ethylidene)-2-methyl-1H-imidazole
CID 132261721
2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine
CID 134340597
[(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine
CID 137153751
5-methylidene-N-prop-1-en-2-ylimidazol-4-amine
CID 144559078
(4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole
CID 168882807
(4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine
CID 176528740
(5E)-5-[(Z)-but-2-enylidene]-2-ethyl-1,4-dihydroimidazole
CID 141876032
(5E)-5-ethylidene-2-methyl-1,4-dihydroimidazole
CID 142858780

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium?
The IUPAC name of (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium (CID 91232423) is (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium.
What is the SMILES notation for (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium?
The canonical SMILES for (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium is C=[N+]=C1NC(CC)=NC1=CC.
What is the InChIKey of (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium?
The InChIKey is UULOLSUAFZBBME-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N3/c1-4-6-8(9-3)11-7(5-2)10-6/h4H,3,5H2,1-2H3/p+1.
What are the key properties of (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium?
(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium has a molecular weight of 150.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium is sourced from PubChem (CID 91232423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).