4-heptyl-5-methyl-1H-imidazole

C11H20N2 — CID 89069470

IUPAC4-heptyl-5-methyl-1H-imidazole
SMILESCCCCCCCc1nc[nH]c1C
InChIInChI=1S/C11H20N2/c1-3-4-5-6-7-8-11-10(2)12-9-13-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyQMINPZVUQOCCMF-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.23
Rot. Bonds6

About 4-heptyl-5-methyl-1H-imidazole

4-heptyl-5-methyl-1H-imidazole (PubChem CID 89069470) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 4-heptyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-heptyl-5-methyl-1H-imidazole
PubChem CID89069470
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name4-heptyl-5-methyl-1H-imidazole
SMILESCCCCCCCc1nc[nH]c1C
InChIInChI=1S/C11H20N2/c1-3-4-5-6-7-8-11-10(2)12-9-13-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyQMINPZVUQOCCMF-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-dioctadecyl-1H-imidazole
CID 141093260
4,5-dipentyl-1H-imidazole
CID 66778912
4-hexyl-5-hydroxy-1H-pyrimidin-6-one
CID 148952934
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
6-tetradecyl-7H-purine
CID 101215358
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
CID 59099593
4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole
CID 59099630
4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole
CID 59099614
4,5-di(nonyl)-1H-imidazole;1H-pyridin-2-one
CID 160507940
3-(5-methyl-1H-imidazol-4-yl)propanoyl chloride
CID 87226527

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-5-methyl-1H-imidazole?
The IUPAC name of 4-heptyl-5-methyl-1H-imidazole (CID 89069470) is 4-heptyl-5-methyl-1H-imidazole.
What is the SMILES notation for 4-heptyl-5-methyl-1H-imidazole?
The canonical SMILES for 4-heptyl-5-methyl-1H-imidazole is CCCCCCCc1nc[nH]c1C.
What is the InChIKey of 4-heptyl-5-methyl-1H-imidazole?
The InChIKey is QMINPZVUQOCCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-5-6-7-8-11-10(2)12-9-13-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-heptyl-5-methyl-1H-imidazole?
4-heptyl-5-methyl-1H-imidazole has a molecular weight of 180.30 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-5-methyl-1H-imidazole is sourced from PubChem (CID 89069470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).