1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole

C11H14N2 — CID 170152254

IUPAC1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole
SMILESC#C/C(=C\c1nccn1C)C(C)C
InChIInChI=1S/C11H14N2/c1-5-10(9(2)3)8-11-12-6-7-13(11)4/h1,6-9H,2-4H3/b10-8+
InChIKeyDOPZLTGMOJHQSD-CSKARUKUSA-N
MW174.25 g/mol
LogP2.09
Rot. Bonds2

About 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole

1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole (PubChem CID 170152254) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole
PubChem CID170152254
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole
SMILESC#C/C(=C\c1nccn1C)C(C)C
InChIInChI=1S/C11H14N2/c1-5-10(9(2)3)8-11-12-6-7-13(11)4/h1,6-9H,2-4H3/b10-8+
InChIKeyDOPZLTGMOJHQSD-CSKARUKUSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane
CID 177189399
(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine
CID 59340385
1-methyl-2-prop-1-enylimidazole;hydroiodide
CID 175574352
methyl (E)-2-(chloroamino)-3-(1-methylimidazol-2-yl)prop-2-enoate
CID 87420329
4-(1-methylimidazol-2-yl)but-3-en-1-ol
CID 170475975
3-(1-methylimidazol-2-yl)prop-2-enal
CID 131852628
tetrakis(2-ethynyl-1-methylimidazole);zinc
CID 162450452
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
CID 173068105
(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine
CID 171986172
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
(E)-1-hydroxy-4-(1-methylimidazol-2-yl)but-3-en-2-one
CID 134316804
N,2-dimethyl-N-(1-methylimidazol-2-yl)propanamide
CID 131134121

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole?
The IUPAC name of 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole (CID 170152254) is 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole?
The canonical SMILES for 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole is C#C/C(=C\c1nccn1C)C(C)C.
What is the InChIKey of 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole?
The InChIKey is DOPZLTGMOJHQSD-CSKARUKUSA-N. The full InChI is InChI=1S/C11H14N2/c1-5-10(9(2)3)8-11-12-6-7-13(11)4/h1,6-9H,2-4H3/b10-8+.
What are the key properties of 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole?
1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole has a molecular weight of 174.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole is sourced from PubChem (CID 170152254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).