1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole

C11H22N2 — CID 20689610

IUPAC1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole
SMILESCCC(C)(C)C1=NC(C)C(C)N1C
InChIInChI=1S/C11H22N2/c1-7-11(4,5)10-12-8(2)9(3)13(10)6/h8-9H,7H2,1-6H3
InChIKeyHXRCRALKFAWHNW-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.54
Rot. Bonds2

About 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole

1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole (PubChem CID 20689610) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole
PubChem CID20689610
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole
SMILESCCC(C)(C)C1=NC(C)C(C)N1C
InChIInChI=1S/C11H22N2/c1-7-11(4,5)10-12-8(2)9(3)13(10)6/h8-9H,7H2,1-6H3
InChIKeyHXRCRALKFAWHNW-UHFFFAOYSA-N
XLogP2.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole?
The IUPAC name of 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole (CID 20689610) is 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole is CCC(C)(C)C1=NC(C)C(C)N1C.
What is the InChIKey of 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole?
The InChIKey is HXRCRALKFAWHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-11(4,5)10-12-8(2)9(3)13(10)6/h8-9H,7H2,1-6H3.
What are the key properties of 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole?
1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole has a molecular weight of 182.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2-(2-methylbutan-2-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 20689610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).