1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole

C11H16N2 — CID 89150454

IUPAC1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole
SMILESC=C/C(C)=C\c1c(C)nc(C)n1C
InChIInChI=1S/C11H16N2/c1-6-8(2)7-11-9(3)12-10(4)13(11)5/h6-7H,1H2,2-5H3/b8-7-
InChIKeyHXMWXSBEFRMNEA-FPLPWBNLSA-N
MW176.26 g/mol
LogP2.63
Rot. Bonds2

About 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole

1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole (PubChem CID 89150454) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole.

Molecular Properties

Compound Name1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole
PubChem CID89150454
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole
SMILESC=C/C(C)=C\c1c(C)nc(C)n1C
InChIInChI=1S/C11H16N2/c1-6-8(2)7-11-9(3)12-10(4)13(11)5/h6-7H,1H2,2-5H3/b8-7-
InChIKeyHXMWXSBEFRMNEA-FPLPWBNLSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole?
The IUPAC name of 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole (CID 89150454) is 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole.
What is the SMILES notation for 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole?
The canonical SMILES for 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole is C=C/C(C)=C\c1c(C)nc(C)n1C.
What is the InChIKey of 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole?
The InChIKey is HXMWXSBEFRMNEA-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H16N2/c1-6-8(2)7-11-9(3)12-10(4)13(11)5/h6-7H,1H2,2-5H3/b8-7-.
What are the key properties of 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole?
1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole has a molecular weight of 176.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole is sourced from PubChem (CID 89150454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).