2-methyl-1-propylimidazole

C7H12N2 — CID 529336

IUPAC2-methyl-1-propylimidazole
SMILESCCCn1ccnc1C
InChIInChI=1S/C7H12N2/c1-3-5-9-6-4-8-7(9)2/h4,6H,3,5H2,1-2H3
InChIKeySIQHSJOKAUDDLN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.60
Rot. Bonds2

About 2-methyl-1-propylimidazole

2-methyl-1-propylimidazole (PubChem CID 529336) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-1-propylimidazole.

Molecular Properties

Compound Name2-methyl-1-propylimidazole
PubChem CID529336
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-1-propylimidazole
SMILESCCCn1ccnc1C
InChIInChI=1S/C7H12N2/c1-3-5-9-6-4-8-7(9)2/h4,6H,3,5H2,1-2H3
InChIKeySIQHSJOKAUDDLN-UHFFFAOYSA-N
XLogP1.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
2-Ethylimidazole
CID 66130
1-Vinylimidazole
CID 66171
1H-Imidazole-1-propanamine
CID 78736
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Decyl-3-methylimidazolium Bromide
CID 22078297
1-Octyl-3-methylimidazolium chloride
CID 2734223
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylimidazole?
The IUPAC name of 2-methyl-1-propylimidazole (CID 529336) is 2-methyl-1-propylimidazole.
What is the SMILES notation for 2-methyl-1-propylimidazole?
The canonical SMILES for 2-methyl-1-propylimidazole is CCCn1ccnc1C.
What is the InChIKey of 2-methyl-1-propylimidazole?
The InChIKey is SIQHSJOKAUDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-9-6-4-8-7(9)2/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-methyl-1-propylimidazole?
2-methyl-1-propylimidazole has a molecular weight of 124.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylimidazole is sourced from PubChem (CID 529336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).