1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole

C19H30N2O — CID 71340636

IUPAC1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole
SMILESCCCCCOCN1C=CN(CCCC)C1c1ccccc1
InChIInChI=1S/C19H30N2O/c1-3-5-10-16-22-17-21-15-14-20(13-6-4-2)19(21)18-11-8-7-9-12-18/h7-9,11-12,14-15,19H,3-6,10,13,16-17H2,1-2H3
InChIKeyHCSXWYQXLMEDAJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.74
Rot. Bonds10

About 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole

1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole (PubChem CID 71340636) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole
PubChem CID71340636
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole
SMILESCCCCCOCN1C=CN(CCCC)C1c1ccccc1
InChIInChI=1S/C19H30N2O/c1-3-5-10-16-22-17-21-15-14-20(13-6-4-2)19(21)18-11-8-7-9-12-18/h7-9,11-12,14-15,19H,3-6,10,13,16-17H2,1-2H3
InChIKeyHCSXWYQXLMEDAJ-UHFFFAOYSA-N
XLogP4.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69390224
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234
1-nonadecyl-2-phenyl-3-undecyl-2H-imidazole
CID 69392101
1-nonadecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69388313
1-nonadecyl-2-phenyl-3-propyl-2H-imidazole
CID 69392531
1-decyl-2-phenyl-3-propyl-2H-imidazole
CID 69389510
1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole
CID 69396098
1-butyl-2,3-diphenyl-2H-imidazole
CID 69391122
1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole
CID 69394417

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole?
The IUPAC name of 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole (CID 71340636) is 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole.
What is the SMILES notation for 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole?
The canonical SMILES for 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole is CCCCCOCN1C=CN(CCCC)C1c1ccccc1.
What is the InChIKey of 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole?
The InChIKey is HCSXWYQXLMEDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-5-10-16-22-17-21-15-14-20(13-6-4-2)19(21)18-11-8-7-9-12-18/h7-9,11-12,14-15,19H,3-6,10,13,16-17H2,1-2H3.
What are the key properties of 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole?
1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole has a molecular weight of 302.46 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole is sourced from PubChem (CID 71340636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).