5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole

C8H12N2 — CID 142811011

IUPAC5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole
SMILESC=C/C=C\C1CN=CN1C
InChIInChI=1S/C8H12N2/c1-3-4-5-8-6-9-7-10(8)2/h3-5,7-8H,1,6H2,2H3/b5-4-
InChIKeyXREINPDXVSZTOM-PLNGDYQASA-N
MW136.20 g/mol
LogP1.07
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole

5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 142811011) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole
PubChem CID142811011
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole
SMILESC=C/C=C\C1CN=CN1C
InChIInChI=1S/C8H12N2/c1-3-4-5-8-6-9-7-10(8)2/h3-5,7-8H,1,6H2,2H3/b5-4-
InChIKeyXREINPDXVSZTOM-PLNGDYQASA-N
XLogP1.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.07
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

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CID 15762982
1-Ethyl-3a,7a-dihydrobenzimidazole
CID 18345221
1,8a-Dihydroimidazo[1,5-a]pyridine
CID 20778855
1-Propan-2-yl-3a,7a-dihydrobenzimidazole
CID 58095321
1-Butyl-3-methyl-3a,7a-dihydrobenzimidazol-3-ium
CID 68200892
1-Tert-butyl-3a,7a-dihydrobenzimidazole
CID 90246666
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
1-Cyclohexa-2,4-dien-1-yl-3a,7a-dihydrobenzimidazole
CID 121340955
1,5-Dimethyl-3a,7a-dihydrobenzimidazole
CID 130400141
3-methyl-6aH-cyclopenta[d]imidazole
CID 134189491

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole (CID 142811011) is 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole is C=C/C=C\C1CN=CN1C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is XREINPDXVSZTOM-PLNGDYQASA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-5-8-6-9-7-10(8)2/h3-5,7-8H,1,6H2,2H3/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole?
5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 142811011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).