1-heptyl-4,5-dihydroimidazole

C10H20N2 — CID 19733963

IUPAC1-heptyl-4,5-dihydroimidazole
SMILESCCCCCCCN1C=NCC1
InChIInChI=1S/C10H20N2/c1-2-3-4-5-6-8-12-9-7-11-10-12/h10H,2-9H2,1H3
InChIKeyHLEMSLPIFAUJMS-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.30
Rot. Bonds6

About 1-heptyl-4,5-dihydroimidazole

1-heptyl-4,5-dihydroimidazole (PubChem CID 19733963) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-heptyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-heptyl-4,5-dihydroimidazole
PubChem CID19733963
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-heptyl-4,5-dihydroimidazole
SMILESCCCCCCCN1C=NCC1
InChIInChI=1S/C10H20N2/c1-2-3-4-5-6-8-12-9-7-11-10-12/h10H,2-9H2,1H3
InChIKeyHLEMSLPIFAUJMS-UHFFFAOYSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.30
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

azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
CID 173231267
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
dodecakis(1-butyl-4,5-dihydroimidazole);fluorophosphonic acid
CID 173136185
3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
CID 140625026
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
chloro-[3-(4,5-dihydroimidazol-1-yl)propyl]-ethyl-propoxysilane
CID 140625067

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4,5-dihydroimidazole?
The IUPAC name of 1-heptyl-4,5-dihydroimidazole (CID 19733963) is 1-heptyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-heptyl-4,5-dihydroimidazole?
The canonical SMILES for 1-heptyl-4,5-dihydroimidazole is CCCCCCCN1C=NCC1.
What is the InChIKey of 1-heptyl-4,5-dihydroimidazole?
The InChIKey is HLEMSLPIFAUJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-3-4-5-6-8-12-9-7-11-10-12/h10H,2-9H2,1H3.
What are the key properties of 1-heptyl-4,5-dihydroimidazole?
1-heptyl-4,5-dihydroimidazole has a molecular weight of 168.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4,5-dihydroimidazole is sourced from PubChem (CID 19733963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).