(5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole

C8H12N2 — CID 163913102

IUPAC(5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole
SMILESC=C/C=C1/N=CN(C)C1C
InChIInChI=1S/C8H12N2/c1-4-5-8-7(2)10(3)6-9-8/h4-7H,1H2,2-3H3/b8-5+
InChIKeyQTXASRDTEBUKQS-VMPITWQZSA-N
MW136.20 g/mol
LogP1.42
Rot. Bonds1

About (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole

(5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole (PubChem CID 163913102) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole.

Molecular Properties

Compound Name(5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole
PubChem CID163913102
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole
SMILESC=C/C=C1/N=CN(C)C1C
InChIInChI=1S/C8H12N2/c1-4-5-8-7(2)10(3)6-9-8/h4-7H,1H2,2-3H3/b8-5+
InChIKeyQTXASRDTEBUKQS-VMPITWQZSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
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1-Ethyl-3a,7a-dihydrobenzimidazole
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1,8a-Dihydroimidazo[1,5-a]pyridine
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2-chloro-1-methyl-3aH-cyclohepta[d]imidazole
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CID 54488788
1-Propan-2-yl-3a,7a-dihydrobenzimidazole
CID 58095321
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
1,6-Dimethyl-3a,4-dihydrobenzimidazole
CID 68289396
5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole
CID 90250381
1,8a-Dihydroimidazo[1,5-a]pyridine;ethane
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CID 123552098

Frequently Asked Questions

What is the IUPAC name of (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole?
The IUPAC name of (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole (CID 163913102) is (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole.
What is the SMILES notation for (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole?
The canonical SMILES for (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole is C=C/C=C1/N=CN(C)C1C.
What is the InChIKey of (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole?
The InChIKey is QTXASRDTEBUKQS-VMPITWQZSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-8-7(2)10(3)6-9-8/h4-7H,1H2,2-3H3/b8-5+.
What are the key properties of (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole?
(5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole has a molecular weight of 136.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole is sourced from PubChem (CID 163913102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).