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

C11H22N2 — CID 15395015

IUPAC1-heptyl-2-methyl-4,5-dihydroimidazole
SMILESCCCCCCCN1CCN=C1C
InChIInChI=1S/C11H22N2/c1-3-4-5-6-7-9-13-10-8-12-11(13)2/h3-10H2,1-2H3
InChIKeyUTTNQOLBUCXWDM-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.69
Rot. Bonds6

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

1-heptyl-2-methyl-4,5-dihydroimidazole (PubChem CID 15395015) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-heptyl-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-heptyl-2-methyl-4,5-dihydroimidazole
PubChem CID15395015
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-heptyl-2-methyl-4,5-dihydroimidazole
SMILESCCCCCCCN1CCN=C1C
InChIInChI=1S/C11H22N2/c1-3-4-5-6-7-9-13-10-8-12-11(13)2/h3-10H2,1-2H3
InChIKeyUTTNQOLBUCXWDM-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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Related Compounds

1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole
CID 11458123
1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
2-chloro-1-hexadecyl-4,5-dihydroimidazole
CID 139656970
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine
CID 166698374
1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
CID 161184867
N,1-dipentyl-4,5-dihydroimidazol-2-amine
CID 70596750
2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine
CID 86023388
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide
CID 20693624
3-[2-carboxyethyl-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]amino]propanoic acid
CID 177366170
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-heptyl-2-methyl-4,5-dihydroimidazole (CID 15395015) is 1-heptyl-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-heptyl-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-heptyl-2-methyl-4,5-dihydroimidazole is CCCCCCCN1CCN=C1C.
What is the InChIKey of 1-heptyl-2-methyl-4,5-dihydroimidazole?
The InChIKey is UTTNQOLBUCXWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-5-6-7-9-13-10-8-12-11(13)2/h3-10H2,1-2H3.
What are the key properties of 1-heptyl-2-methyl-4,5-dihydroimidazole?
1-heptyl-2-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 1-heptyl-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 15395015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).