1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole

C18H26N2O — CID 14514380

IUPAC1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
SMILESCCCCOCc1ccc(C(CCC)n2ccnc2)cc1
InChIInChI=1S/C18H26N2O/c1-3-5-13-21-14-16-7-9-17(10-8-16)18(6-4-2)20-12-11-19-15-20/h7-12,15,18H,3-6,13-14H2,1-2H3
InChIKeyYJMZWYALMLRRCU-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.59
Rot. Bonds9

About 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole

1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole (PubChem CID 14514380) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole.

Molecular Properties

Compound Name1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
PubChem CID14514380
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
SMILESCCCCOCc1ccc(C(CCC)n2ccnc2)cc1
InChIInChI=1S/C18H26N2O/c1-3-5-13-21-14-16-7-9-17(10-8-16)18(6-4-2)20-12-11-19-15-20/h7-12,15,18H,3-6,13-14H2,1-2H3
InChIKeyYJMZWYALMLRRCU-UHFFFAOYSA-N
XLogP4.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.59
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

{3-[(1H-imidazol-1-yl)methyl]phenyl}methanol
CID 10397593
alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
{4-[(1H-Imidazol-1-yl)methyl]phenyl}methanol
CID 15594569
1-(2-(Benzyloxy)ethyl)imidazole
CID 4146595
1-(3-benzyloxy-1(E)octenyl)imidazole
CID 6436121
rac-1-[1-(3''-Methoxy-biphenyl-4-yl)-propyl]-1H-imidazole
CID 42643327
1-[(4-Methoxy-phenyl)-p-tolyl-methyl]-1H-imidazole
CID 44356601
1-[(2-Methoxy-phenyl)-phenyl-methyl]-1H-imidazole
CID 44356997
Denzimol, (S)-
CID 76965185
N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine
CID 122189563
Imidazole-1-ethanol, alpha-(4-sec-butylphenyl)-, monohydrochloride
CID 3064166
1-(3,3-Diphenyloxiran-2-yl)-1H-imidazole
CID 3061550

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole?
The IUPAC name of 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole (CID 14514380) is 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole.
What is the SMILES notation for 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole?
The canonical SMILES for 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole is CCCCOCc1ccc(C(CCC)n2ccnc2)cc1.
What is the InChIKey of 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole?
The InChIKey is YJMZWYALMLRRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-5-13-21-14-16-7-9-17(10-8-16)18(6-4-2)20-12-11-19-15-20/h7-12,15,18H,3-6,13-14H2,1-2H3.
What are the key properties of 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole?
1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole has a molecular weight of 286.42 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole is sourced from PubChem (CID 14514380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).