2,5-dimethyl-4-propyl-1H-imidazole;propane

C11H22N2 — CID 164539994

IUPAC2,5-dimethyl-4-propyl-1H-imidazole;propane
SMILESCCC.CCCc1nc(C)[nH]c1C
InChIInChI=1S/C8H14N2.C3H8/c1-4-5-8-6(2)9-7(3)10-8;1-3-2/h4-5H2,1-3H3,(H,9,10);3H2,1-2H3
InChIKeyWIFFGVIZTWLZFC-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.40
Rot. Bonds2

About 2,5-dimethyl-4-propyl-1H-imidazole;propane

2,5-dimethyl-4-propyl-1H-imidazole;propane (PubChem CID 164539994) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-propyl-1H-imidazole;propane.

Molecular Properties

Compound Name2,5-dimethyl-4-propyl-1H-imidazole;propane
PubChem CID164539994
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,5-dimethyl-4-propyl-1H-imidazole;propane
SMILESCCC.CCCc1nc(C)[nH]c1C
InChIInChI=1S/C8H14N2.C3H8/c1-4-5-8-6(2)9-7(3)10-8;1-3-2/h4-5H2,1-3H3,(H,9,10);3H2,1-2H3
InChIKeyWIFFGVIZTWLZFC-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-4-propyl-1H-imidazole-2-carbonitrile
CID 54549851
4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole
CID 59955696
2-(4-methoxyphenyl)-5-methyl-4-propyl-1H-imidazole
CID 160651748
1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832631
2-ethyl-4,5-dipropyl-1H-imidazole
CID 140833487
4-methyl-5-propyl-2H-triazole
CID 23402789
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol
CID 55265936
4,5-dimethyl-2-propyl-1H-imidazole;iodic acid
CID 158159579
6-chloro-2-methyl-4-propyl-1H-benzimidazole
CID 173254134
[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 55289219
2-methyl-5-propyl-1H-imidazole
CID 22956170

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propyl-1H-imidazole;propane?
The IUPAC name of 2,5-dimethyl-4-propyl-1H-imidazole;propane (CID 164539994) is 2,5-dimethyl-4-propyl-1H-imidazole;propane.
What is the SMILES notation for 2,5-dimethyl-4-propyl-1H-imidazole;propane?
The canonical SMILES for 2,5-dimethyl-4-propyl-1H-imidazole;propane is CCC.CCCc1nc(C)[nH]c1C.
What is the InChIKey of 2,5-dimethyl-4-propyl-1H-imidazole;propane?
The InChIKey is WIFFGVIZTWLZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C3H8/c1-4-5-8-6(2)9-7(3)10-8;1-3-2/h4-5H2,1-3H3,(H,9,10);3H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-propyl-1H-imidazole;propane?
2,5-dimethyl-4-propyl-1H-imidazole;propane has a molecular weight of 182.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propyl-1H-imidazole;propane is sourced from PubChem (CID 164539994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).