(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole

C12H18N2 — CID 142991698

IUPAC(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
SMILESC=C(C)/C=C\C=C1/CN=CN1C(C)C
InChIInChI=1S/C12H18N2/c1-10(2)6-5-7-12-8-13-9-14(12)11(3)4/h5-7,9,11H,1,8H2,2-4H3/b6-5-,12-7+
InChIKeyWPWFOQWGWYVJOA-UNKATYBDSA-N
MW190.29 g/mol
LogP2.75
Rot. Bonds3

About (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole

(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole (PubChem CID 142991698) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole.

Molecular Properties

Compound Name(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
PubChem CID142991698
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
SMILESC=C(C)/C=C\C=C1/CN=CN1C(C)C
InChIInChI=1S/C12H18N2/c1-10(2)6-5-7-12-8-13-9-14(12)11(3)4/h5-7,9,11H,1,8H2,2-4H3/b6-5-,12-7+
InChIKeyWPWFOQWGWYVJOA-UNKATYBDSA-N
XLogP2.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
CID 176685557
N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57037934
N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
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
CID 90971508
5-(2-Chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 123173232
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
CID 123692248
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole?
The IUPAC name of (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole (CID 142991698) is (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole.
What is the SMILES notation for (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole?
The canonical SMILES for (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole is C=C(C)/C=C\C=C1/CN=CN1C(C)C.
What is the InChIKey of (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole?
The InChIKey is WPWFOQWGWYVJOA-UNKATYBDSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(2)6-5-7-12-8-13-9-14(12)11(3)4/h5-7,9,11H,1,8H2,2-4H3/b6-5-,12-7+.
What are the key properties of (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole?
(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole has a molecular weight of 190.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole is sourced from PubChem (CID 142991698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).