5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole

C13H24N2O — CID 10977121

IUPAC5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole
SMILESCC(C)(C)CCCOCCCc1cnc[nH]1
InChIInChI=1S/C13H24N2O/c1-13(2,3)7-5-9-16-8-4-6-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyVGUGROYMNGSBSD-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.19
Rot. Bonds7

About 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole

5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole (PubChem CID 10977121) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole
PubChem CID10977121
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole
SMILESCC(C)(C)CCCOCCCc1cnc[nH]1
InChIInChI=1S/C13H24N2O/c1-13(2,3)7-5-9-16-8-4-6-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyVGUGROYMNGSBSD-UHFFFAOYSA-N
XLogP3.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

L-Histidinol
CID 165271
Histidinol
CID 776
4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole
CID 10219888
Fub 465
CID 9989449
3-(1H-imidazol-4-yl)propan-1-ol hydrochloride
CID 21715365
(R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10680721
4-(7-Methyl-oct-3-ynyl)-1H-imidazole
CID 10012754
(S)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10489384
(Z)-but-2-enedioic acid;5-[3-(3,3-dimethylbutoxy)propyl]-1H-imidazole
CID 71451010
3-(1H-imidazol-5-yl)propyl N-(2-methylpentyl)carbamate
CID 10515050
(R)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamate
CID 10515993
(R)-3-(1H-imidazol-4-yl)propyl pentan-2-ylcarbamate
CID 10537958

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole (CID 10977121) is 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole is CC(C)(C)CCCOCCCc1cnc[nH]1.
What is the InChIKey of 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole?
The InChIKey is VGUGROYMNGSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)7-5-9-16-8-4-6-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole?
5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole has a molecular weight of 224.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,4-dimethylpentoxy)propyl]-1H-imidazole is sourced from PubChem (CID 10977121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).