3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole

C8H16N2 — CID 146392623

IUPAC3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole
SMILESCC1=C(C(C)C)NCN1C
InChIInChI=1S/C8H16N2/c1-6(2)8-7(3)10(4)5-9-8/h6,9H,5H2,1-4H3
InChIKeyZSXUUQAUYCXXBR-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds1

About 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole

3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole (PubChem CID 146392623) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole
PubChem CID146392623
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole
SMILESCC1=C(C(C)C)NCN1C
InChIInChI=1S/C8H16N2/c1-6(2)8-7(3)10(4)5-9-8/h6,9H,5H2,1-4H3
InChIKeyZSXUUQAUYCXXBR-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole (CID 146392623) is 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole is CC1=C(C(C)C)NCN1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole?
The InChIKey is ZSXUUQAUYCXXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8-7(3)10(4)5-9-8/h6,9H,5H2,1-4H3.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole?
3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-1,2-dihydroimidazole is sourced from PubChem (CID 146392623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).