N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide

C7H10N4 — CID 143080869

IUPACN-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide
SMILESC/C=C1\NC=N\C1=N/C=N/C
InChIInChI=1S/C7H10N4/c1-3-6-7(10-4-8-2)11-5-9-6/h3-5H,1-2H3,(H,8,9,10,11)/b6-3-
InChIKeyXYGVVYFSHNEHMS-UTCJRWHESA-N
MW150.18 g/mol
LogP0.58
Rot. Bonds1

About N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide

N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide (PubChem CID 143080869) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide
PubChem CID143080869
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC NameN-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide
SMILESC/C=C1\NC=N\C1=N/C=N/C
InChIInChI=1S/C7H10N4/c1-3-6-7(10-4-8-2)11-5-9-6/h3-5H,1-2H3,(H,8,9,10,11)/b6-3-
InChIKeyXYGVVYFSHNEHMS-UTCJRWHESA-N
XLogP0.58
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide?
The IUPAC name of N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide (CID 143080869) is N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide?
The canonical SMILES for N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide is C/C=C1\NC=N\C1=N/C=N/C.
What is the InChIKey of N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide?
The InChIKey is XYGVVYFSHNEHMS-UTCJRWHESA-N. The full InChI is InChI=1S/C7H10N4/c1-3-6-7(10-4-8-2)11-5-9-6/h3-5H,1-2H3,(H,8,9,10,11)/b6-3-.
What are the key properties of N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide?
N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide has a molecular weight of 150.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-ethylidene-1H-imidazol-4-ylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 143080869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).