(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine

C9H13N3 — CID 143123504

IUPAC(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine
SMILESC=C/C=c1/[nH]c(NC)n/c1=C/C
InChIInChI=1S/C9H13N3/c1-4-6-8-7(5-2)11-9(10-3)12-8/h4-6H,1H2,2-3H3,(H2,10,11,12)/b7-5+,8-6+
InChIKeyCEDKLMZPJAPRHZ-KQQUZDAGSA-N
MW163.22 g/mol
LogP0.22
Rot. Bonds2

About (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine

(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine (PubChem CID 143123504) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine
PubChem CID143123504
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine
SMILESC=C/C=c1/[nH]c(NC)n/c1=C/C
InChIInChI=1S/C9H13N3/c1-4-6-8-7(5-2)11-9(10-3)12-8/h4-6H,1H2,2-3H3,(H2,10,11,12)/b7-5+,8-6+
InChIKeyCEDKLMZPJAPRHZ-KQQUZDAGSA-N
XLogP0.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine
CID 170019176
(4Z)-4-(1-fluoroprop-2-enylidene)-1-methyl-5-methylideneimidazol-2-amine
CID 170019178
1-methyl-4H-benzimidazol-4-id-2-amine;yttrium
CID 58110868
(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(4E,5E)-4,5-di(ethylidene)-1H-imidazole
CID 90084299
(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine
CID 90836383
(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
(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine
CID 126552115
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine
CID 126687470

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine?
The IUPAC name of (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine (CID 143123504) is (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine.
What is the SMILES notation for (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine?
The canonical SMILES for (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine is C=C/C=c1/[nH]c(NC)n/c1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine?
The InChIKey is CEDKLMZPJAPRHZ-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-6-8-7(5-2)11-9(10-3)12-8/h4-6H,1H2,2-3H3,(H2,10,11,12)/b7-5+,8-6+.
What are the key properties of (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine?
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine has a molecular weight of 163.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine is sourced from PubChem (CID 143123504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).