5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole

C13H18N2O — CID 129036214

IUPAC5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCCOc1ccc(C2CN=CN2)cc1
InChIInChI=1S/C13H18N2O/c1-2-3-8-16-12-6-4-11(5-7-12)13-9-14-10-15-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyXMFROMXUIHIJCS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.54
Rot. Bonds5

About 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole

5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 129036214) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID129036214
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCCOc1ccc(C2CN=CN2)cc1
InChIInChI=1S/C13H18N2O/c1-2-3-8-16-12-6-4-11(5-7-12)13-9-14-10-15-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyXMFROMXUIHIJCS-UHFFFAOYSA-N
XLogP2.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 3525424
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CID 59628060
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CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-(4-octoxyphenyl)piperidine
CID 90176821
4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
1-cyclohexyl-4-heptoxybenzene
CID 56628106
2-(4-butoxyphenyl)thiolane
CID 174508841
(2S)-2-(3-butoxyphenyl)aziridine
CID 55262562
bis(4-docosoxyphenyl)-dihydroxysilane
CID 69138050
2,4-bis(4-butoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 102552192

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole (CID 129036214) is 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole is CCCCOc1ccc(C2CN=CN2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is XMFROMXUIHIJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-3-8-16-12-6-4-11(5-7-12)13-9-14-10-15-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole?
5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 218.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 129036214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).