2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole

C10H18N2 — CID 59917065

IUPAC2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole
SMILESC=C1N(C(C)C)C(C)=NC1(C)C
InChIInChI=1S/C10H18N2/c1-7(2)12-8(3)10(5,6)11-9(12)4/h7H,3H2,1-2,4-6H3
InChIKeySYEZQYRCHVBOED-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds1

About 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole

2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole (PubChem CID 59917065) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole
PubChem CID59917065
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole
SMILESC=C1N(C(C)C)C(C)=NC1(C)C
InChIInChI=1S/C10H18N2/c1-7(2)12-8(3)10(5,6)11-9(12)4/h7H,3H2,1-2,4-6H3
InChIKeySYEZQYRCHVBOED-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-trimethyl-5-methylidene-4H-imidazole
CID 54449972
1,2,5,5-Tetramethyl-4-methylideneimidazole
CID 57792313
1,2,4,4-Tetramethyl-5-methylideneimidazole
CID 57792401
3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole
CID 91189446
2-Methyl-1-pent-1-en-2-yl-4,5-dihydroimidazole
CID 122608806
(5E)-5-ethylidene-1,2,4,4-tetramethylimidazole
CID 137427466
ethane;1-ethyl-2-methyl-5-methylidene-4H-imidazole
CID 141822302
(5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole
CID 166928816
(E)-1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-N,N,3,3-tetramethylbut-1-en-2-amine
CID 134873524

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole?
The IUPAC name of 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole (CID 59917065) is 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole.
What is the SMILES notation for 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole?
The canonical SMILES for 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole is C=C1N(C(C)C)C(C)=NC1(C)C.
What is the InChIKey of 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole?
The InChIKey is SYEZQYRCHVBOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)12-8(3)10(5,6)11-9(12)4/h7H,3H2,1-2,4-6H3.
What are the key properties of 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole?
2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-5-methylidene-1-propan-2-ylimidazole is sourced from PubChem (CID 59917065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).