5-hexyl-1H-imidazole

C9H16N2 — CID 14225142

IUPAC5-hexyl-1H-imidazole
SMILESCCCCCCc1cnc[nH]1
InChIInChI=1S/C9H16N2/c1-2-3-4-5-6-9-7-10-8-11-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyZHAIXXLRPCLOSH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.53
Rot. Bonds5

About 5-hexyl-1H-imidazole

5-hexyl-1H-imidazole (PubChem CID 14225142) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-hexyl-1H-imidazole.

Molecular Properties

Compound Name5-hexyl-1H-imidazole
PubChem CID14225142
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-hexyl-1H-imidazole
SMILESCCCCCCc1cnc[nH]1
InChIInChI=1S/C9H16N2/c1-2-3-4-5-6-9-7-10-8-11-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyZHAIXXLRPCLOSH-UHFFFAOYSA-N
XLogP2.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.53
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

5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
4-(1H-imidazol-5-yl)butan-1-amine
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10-(1H-imidazol-5-yl)decan-2-one
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N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
CID 65232388
octyl 3-(1H-imidazol-5-yl)propanoate
CID 25133716
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
10-(1H-imidazol-5-yl)decane-1,1-diol
CID 150316207
3-(1H-imidazol-5-yl)propyl N-octylcarbamate
CID 10564790
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
N-(1H-imidazol-5-ylmethyl)-4-pentylaniline
CID 55109450
(6Z,9Z,28Z,31Z)-N-[3-(1H-imidazol-5-yl)propyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 71554451

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-1H-imidazole?
The IUPAC name of 5-hexyl-1H-imidazole (CID 14225142) is 5-hexyl-1H-imidazole.
What is the SMILES notation for 5-hexyl-1H-imidazole?
The canonical SMILES for 5-hexyl-1H-imidazole is CCCCCCc1cnc[nH]1.
What is the InChIKey of 5-hexyl-1H-imidazole?
The InChIKey is ZHAIXXLRPCLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-5-6-9-7-10-8-11-9/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-hexyl-1H-imidazole?
5-hexyl-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1H-imidazole is sourced from PubChem (CID 14225142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).