2-heptyl-1-methyl-4,5-dihydroimidazole

C11H22N2 — CID 14651794

IUPAC2-heptyl-1-methyl-4,5-dihydroimidazole
SMILESCCCCCCCC1=NCCN1C
InChIInChI=1S/C11H22N2/c1-3-4-5-6-7-8-11-12-9-10-13(11)2/h3-10H2,1-2H3
InChIKeyNFTHHHNYDXPVHJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.69
Rot. Bonds6

About 2-heptyl-1-methyl-4,5-dihydroimidazole

2-heptyl-1-methyl-4,5-dihydroimidazole (PubChem CID 14651794) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-heptyl-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-heptyl-1-methyl-4,5-dihydroimidazole
PubChem CID14651794
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-heptyl-1-methyl-4,5-dihydroimidazole
SMILESCCCCCCCC1=NCCN1C
InChIInChI=1S/C11H22N2/c1-3-4-5-6-7-8-11-12-9-10-13(11)2/h3-10H2,1-2H3
InChIKeyNFTHHHNYDXPVHJ-UHFFFAOYSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-heptyl-1-methyl-4,5-dihydroimidazole (CID 14651794) is 2-heptyl-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-heptyl-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-heptyl-1-methyl-4,5-dihydroimidazole is CCCCCCCC1=NCCN1C.
What is the InChIKey of 2-heptyl-1-methyl-4,5-dihydroimidazole?
The InChIKey is NFTHHHNYDXPVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-5-6-7-8-11-12-9-10-13(11)2/h3-10H2,1-2H3.
What are the key properties of 2-heptyl-1-methyl-4,5-dihydroimidazole?
2-heptyl-1-methyl-4,5-dihydroimidazole has a molecular weight of 182.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 14651794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).