5-(2,2-dimethylbut-3-enyl)-1H-imidazole

C9H14N2 — CID 66705656

IUPAC5-(2,2-dimethylbut-3-enyl)-1H-imidazole
SMILESC=CC(C)(C)Cc1cnc[nH]1
InChIInChI=1S/C9H14N2/c1-4-9(2,3)5-8-6-10-7-11-8/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKeyBXZMZMMNSQEVHY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds3

About 5-(2,2-dimethylbut-3-enyl)-1H-imidazole

5-(2,2-dimethylbut-3-enyl)-1H-imidazole (PubChem CID 66705656) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-(2,2-dimethylbut-3-enyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,2-dimethylbut-3-enyl)-1H-imidazole
PubChem CID66705656
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-(2,2-dimethylbut-3-enyl)-1H-imidazole
SMILESC=CC(C)(C)Cc1cnc[nH]1
InChIInChI=1S/C9H14N2/c1-4-9(2,3)5-8-6-10-7-11-8/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKeyBXZMZMMNSQEVHY-UHFFFAOYSA-N
XLogP2.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-imidazol-5-yl)-3-methyl-3-(methylamino)butan-2-one
CID 59703175
[1-(1H-imidazol-5-yl)-2-methyl-3-oxobutan-2-yl]azanium
CID 23403341
5-(2-methyl-2-propylhexyl)-1H-imidazole
CID 139423200
2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 19918803
(2R)-2-(dimethylamino)-2-(1H-imidazol-5-ylmethyl)-3-oxopent-4-enoic acid
CID 25206846
5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole
CID 162038265
2-amino-2-(1H-imidazol-5-ylmethyl)-3-methoxypropanal
CID 163822247
methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate
CID 22855169
5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
CID 65236768
5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole
CID 69022515

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylbut-3-enyl)-1H-imidazole?
The IUPAC name of 5-(2,2-dimethylbut-3-enyl)-1H-imidazole (CID 66705656) is 5-(2,2-dimethylbut-3-enyl)-1H-imidazole.
What is the SMILES notation for 5-(2,2-dimethylbut-3-enyl)-1H-imidazole?
The canonical SMILES for 5-(2,2-dimethylbut-3-enyl)-1H-imidazole is C=CC(C)(C)Cc1cnc[nH]1.
What is the InChIKey of 5-(2,2-dimethylbut-3-enyl)-1H-imidazole?
The InChIKey is BXZMZMMNSQEVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9(2,3)5-8-6-10-7-11-8/h4,6-7H,1,5H2,2-3H3,(H,10,11).
What are the key properties of 5-(2,2-dimethylbut-3-enyl)-1H-imidazole?
5-(2,2-dimethylbut-3-enyl)-1H-imidazole has a molecular weight of 150.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylbut-3-enyl)-1H-imidazole is sourced from PubChem (CID 66705656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).