[(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine

C8H12N4 — CID 137153751

IUPAC[(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine
SMILESC=c1[nH]c(CN)n/c1=C/C=N/C
InChIInChI=1S/C8H12N4/c1-6-7(3-4-10-2)12-8(5-9)11-6/h3-4H,1,5,9H2,2H3,(H,11,12)/b7-3+,10-4+
InChIKeyGDBZRCILZYIGTB-DROBUMMNSA-N
MW164.21 g/mol
LogP-1.24
Rot. Bonds2

About [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine

[(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine (PubChem CID 137153751) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine
PubChem CID137153751
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name[(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine
SMILESC=c1[nH]c(CN)n/c1=C/C=N/C
InChIInChI=1S/C8H12N4/c1-6-7(3-4-10-2)12-8(5-9)11-6/h3-4H,1,5,9H2,2H3,(H,11,12)/b7-3+,10-4+
InChIKeyGDBZRCILZYIGTB-DROBUMMNSA-N
XLogP-1.24
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium
CID 91232423
N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 123236031
N-ethyl-2-(ethylideneamino)-N'-methylprop-2-enimidamide
CID 123430551
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
N-(2-ethyl-4-methyl-6-methylidene-1H-pyrimidin-5-yl)ethanimine
CID 132125645
(4E,5E)-4,5-di(ethylidene)-2-methyl-1H-imidazole
CID 132261721
N-[(3E)-2-amino-4-(ethylideneamino)penta-1,3-dien-3-yl]-N'-ethylmethanimidamide
CID 134254176
2-[(4E)-4-ethylidene-5-methylidene-1H-imidazol-2-yl]ethanamine
CID 134340597
[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]methanamine
CID 134340779
N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine
CID 134369176

Frequently Asked Questions

What is the IUPAC name of [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine (CID 137153751) is [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine is C=c1[nH]c(CN)n/c1=C/C=N/C.
What is the InChIKey of [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine?
The InChIKey is GDBZRCILZYIGTB-DROBUMMNSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-7(3-4-10-2)12-8(5-9)11-6/h3-4H,1,5,9H2,2H3,(H,11,12)/b7-3+,10-4+.
What are the key properties of [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine?
[(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine has a molecular weight of 164.21 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-5-methylidene-4-(2-methyliminoethylidene)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 137153751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).