1,3-dimethyl-2-propyl-2H-imidazole

C8H16N2 — CID 22044313

IUPAC1,3-dimethyl-2-propyl-2H-imidazole
SMILESCCCC1N(C)C=CN1C
InChIInChI=1S/C8H16N2/c1-4-5-8-9(2)6-7-10(8)3/h6-8H,4-5H2,1-3H3
InChIKeyJXUQDNSEHLCZEF-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.46
Rot. Bonds2

About 1,3-dimethyl-2-propyl-2H-imidazole

1,3-dimethyl-2-propyl-2H-imidazole (PubChem CID 22044313) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,3-dimethyl-2-propyl-2H-imidazole.

Molecular Properties

Compound Name1,3-dimethyl-2-propyl-2H-imidazole
PubChem CID22044313
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,3-dimethyl-2-propyl-2H-imidazole
SMILESCCCC1N(C)C=CN1C
InChIInChI=1S/C8H16N2/c1-4-5-8-9(2)6-7-10(8)3/h6-8H,4-5H2,1-3H3
InChIKeyJXUQDNSEHLCZEF-UHFFFAOYSA-N
XLogP1.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propyl-2H-imidazole?
The IUPAC name of 1,3-dimethyl-2-propyl-2H-imidazole (CID 22044313) is 1,3-dimethyl-2-propyl-2H-imidazole.
What is the SMILES notation for 1,3-dimethyl-2-propyl-2H-imidazole?
The canonical SMILES for 1,3-dimethyl-2-propyl-2H-imidazole is CCCC1N(C)C=CN1C.
What is the InChIKey of 1,3-dimethyl-2-propyl-2H-imidazole?
The InChIKey is JXUQDNSEHLCZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-8-9(2)6-7-10(8)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-propyl-2H-imidazole?
1,3-dimethyl-2-propyl-2H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propyl-2H-imidazole is sourced from PubChem (CID 22044313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).