5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole

C12H22N2 — CID 59650396

IUPAC5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
SMILESCC(C)C(C)Cc1cncn1C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)11(5)6-12-7-13-8-14(12)10(3)4/h7-11H,6H2,1-5H3
InChIKeyVMUGZFKXLBUPCG-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.30
Rot. Bonds4

About 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole

5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole (PubChem CID 59650396) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
PubChem CID59650396
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
SMILESCC(C)C(C)Cc1cncn1C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)11(5)6-12-7-13-8-14(12)10(3)4/h7-11H,6H2,1-5H3
InChIKeyVMUGZFKXLBUPCG-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-5-propylimidazole
CID 139308338
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
2-(3-propan-2-ylimidazol-4-yl)acetonitrile
CID 84763142
2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine
CID 66131875
2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
CID 66162773
1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole
CID 66154434
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
CID 106938076
4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66129675
2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one
CID 66131489
6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
CID 66131081
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole?
The IUPAC name of 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole (CID 59650396) is 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole.
What is the SMILES notation for 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole?
The canonical SMILES for 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole is CC(C)C(C)Cc1cncn1C(C)C.
What is the InChIKey of 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole?
The InChIKey is VMUGZFKXLBUPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)11(5)6-12-7-13-8-14(12)10(3)4/h7-11H,6H2,1-5H3.
What are the key properties of 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole?
5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole is sourced from PubChem (CID 59650396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).