2-methyl-5-propyl-1H-imidazole

C7H12N2 — CID 22956170

IUPAC2-methyl-5-propyl-1H-imidazole
SMILESCCCc1cnc(C)[nH]1
InChIInChI=1S/C7H12N2/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyTWPXTLLVNPZMRW-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds2

About 2-methyl-5-propyl-1H-imidazole

2-methyl-5-propyl-1H-imidazole (PubChem CID 22956170) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-5-propyl-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-propyl-1H-imidazole
PubChem CID22956170
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-5-propyl-1H-imidazole
SMILESCCCc1cnc(C)[nH]1
InChIInChI=1S/C7H12N2/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyTWPXTLLVNPZMRW-UHFFFAOYSA-N
XLogP1.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1H-imidazole?
The IUPAC name of 2-methyl-5-propyl-1H-imidazole (CID 22956170) is 2-methyl-5-propyl-1H-imidazole.
What is the SMILES notation for 2-methyl-5-propyl-1H-imidazole?
The canonical SMILES for 2-methyl-5-propyl-1H-imidazole is CCCc1cnc(C)[nH]1.
What is the InChIKey of 2-methyl-5-propyl-1H-imidazole?
The InChIKey is TWPXTLLVNPZMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-methyl-5-propyl-1H-imidazole?
2-methyl-5-propyl-1H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1H-imidazole is sourced from PubChem (CID 22956170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).