4,5-dimethyl-1-propan-2-ylimidazole

C8H14N2 — CID 11988730

IUPAC4,5-dimethyl-1-propan-2-ylimidazole
SMILESCc1ncn(C(C)C)c1C
InChIInChI=1S/C8H14N2/c1-6(2)10-5-9-7(3)8(10)4/h5-6H,1-4H3
InChIKeyNYJYNWNMHLGGFH-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.08
Rot. Bonds1

About 4,5-dimethyl-1-propan-2-ylimidazole

4,5-dimethyl-1-propan-2-ylimidazole (PubChem CID 11988730) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,5-dimethyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4,5-dimethyl-1-propan-2-ylimidazole
PubChem CID11988730
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4,5-dimethyl-1-propan-2-ylimidazole
SMILESCc1ncn(C(C)C)c1C
InChIInChI=1S/C8H14N2/c1-6(2)10-5-9-7(3)8(10)4/h5-6H,1-4H3
InChIKeyNYJYNWNMHLGGFH-UHFFFAOYSA-N
XLogP2.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-propan-2-ylimidazole?
The IUPAC name of 4,5-dimethyl-1-propan-2-ylimidazole (CID 11988730) is 4,5-dimethyl-1-propan-2-ylimidazole.
What is the SMILES notation for 4,5-dimethyl-1-propan-2-ylimidazole?
The canonical SMILES for 4,5-dimethyl-1-propan-2-ylimidazole is Cc1ncn(C(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-1-propan-2-ylimidazole?
The InChIKey is NYJYNWNMHLGGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)10-5-9-7(3)8(10)4/h5-6H,1-4H3.
What are the key properties of 4,5-dimethyl-1-propan-2-ylimidazole?
4,5-dimethyl-1-propan-2-ylimidazole has a molecular weight of 138.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-propan-2-ylimidazole is sourced from PubChem (CID 11988730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).