(5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine

C9H13N3 — CID 143871723

IUPAC(5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine
SMILESC=C/C=C1/NC=N/C1=N\C(C)C
InChIInChI=1S/C9H13N3/c1-4-5-8-9(11-6-10-8)12-7(2)3/h4-7H,1H2,2-3H3,(H,10,11,12)/b8-5+
InChIKeySWZSWCGCJZBQQG-VMPITWQZSA-N
MW163.22 g/mol
LogP1.49
Rot. Bonds2

About (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine

(5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine (PubChem CID 143871723) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine
PubChem CID143871723
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine
SMILESC=C/C=C1/NC=N/C1=N\C(C)C
InChIInChI=1S/C9H13N3/c1-4-5-8-9(11-6-10-8)12-7(2)3/h4-7H,1H2,2-3H3,(H,10,11,12)/b8-5+
InChIKeySWZSWCGCJZBQQG-VMPITWQZSA-N
XLogP1.49
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4H-imidazo[4,5-b]pyridin-4-ium
CID 165117308
2-(1H-azepin-2-yl)-1H-1,3-diazepine
CID 69317110
(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88544990
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine
CID 88947542
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500
1H-cycloocta[d]imidazole
CID 123886935
(4E)-4-but-2-enylidene-5-methylidene-1H-imidazole
CID 124018396

Frequently Asked Questions

What is the IUPAC name of (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine?
The IUPAC name of (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine (CID 143871723) is (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine?
The canonical SMILES for (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine is C=C/C=C1/NC=N/C1=N\C(C)C.
What is the InChIKey of (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine?
The InChIKey is SWZSWCGCJZBQQG-VMPITWQZSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-5-8-9(11-6-10-8)12-7(2)3/h4-7H,1H2,2-3H3,(H,10,11,12)/b8-5+.
What are the key properties of (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine?
(5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine has a molecular weight of 163.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine is sourced from PubChem (CID 143871723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).