(4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole

C9H12N2 — CID 168882807

IUPAC(4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/nc(CC)[nH]c1=C
InChIInChI=1S/C9H12N2/c1-4-6-8-7(3)10-9(5-2)11-8/h4,6H,1,3,5H2,2H3,(H,10,11)/b8-6+
InChIKeyULBGSNFKIGSMHG-SOFGYWHQSA-N
MW148.21 g/mol
LogP0.35
Rot. Bonds2

About (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole

(4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole (PubChem CID 168882807) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole.

Molecular Properties

Compound Name(4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole
PubChem CID168882807
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/nc(CC)[nH]c1=C
InChIInChI=1S/C9H12N2/c1-4-6-8-7(3)10-9(5-2)11-8/h4,6H,1,3,5H2,2H3,(H,10,11)/b8-6+
InChIKeyULBGSNFKIGSMHG-SOFGYWHQSA-N
XLogP0.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4E,5E)-4,5-bis(2-fluoroethylidene)-2-methyl-1H-imidazole
CID 132003996
7-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine
CID 22959166
2-Methyl-1,7-dihydrobenzimidazol-7-ide;yttrium
CID 59098032
(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-[(4E)-5-methylidene-4-prop-2-enylidene-1H-imidazol-2-yl]acetonitrile
CID 89341327
(2-ethyl-4-ethylidene-1H-imidazol-5-ylidene)-methylideneazanium
CID 91232423
2-ethyl-4,5-dimethylidene-1H-imidazole
CID 91247008
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1H-imidazole
CID 123195019
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 123618590

Frequently Asked Questions

What is the IUPAC name of (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole?
The IUPAC name of (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole (CID 168882807) is (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole.
What is the SMILES notation for (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole?
The canonical SMILES for (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole is C=C/C=c1/nc(CC)[nH]c1=C.
What is the InChIKey of (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole?
The InChIKey is ULBGSNFKIGSMHG-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-6-8-7(3)10-9(5-2)11-8/h4,6H,1,3,5H2,2H3,(H,10,11)/b8-6+.
What are the key properties of (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole?
(4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole has a molecular weight of 148.21 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethyl-5-methylidene-4-prop-2-enylidene-1H-imidazole is sourced from PubChem (CID 168882807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).