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

C20H22N2O — CID 14514381

IUPAC1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
SMILESCCCC(c1ccc(COc2ccccc2)cc1)n1ccnc1
InChIInChI=1S/C20H22N2O/c1-2-6-20(22-14-13-21-16-22)18-11-9-17(10-12-18)15-23-19-7-4-3-5-8-19/h3-5,7-14,16,20H,2,6,15H2,1H3
InChIKeyWHYNXMLXAORFAF-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.85
Rot. Bonds7

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

1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole (PubChem CID 14514381) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole.

Molecular Properties

Compound Name1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
PubChem CID14514381
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
SMILESCCCC(c1ccc(COc2ccccc2)cc1)n1ccnc1
InChIInChI=1S/C20H22N2O/c1-2-6-20(22-14-13-21-16-22)18-11-9-17(10-12-18)15-23-19-7-4-3-5-8-19/h3-5,7-14,16,20H,2,6,15H2,1H3
InChIKeyWHYNXMLXAORFAF-UHFFFAOYSA-N
XLogP4.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(methoxymethyl)phenyl]butyl]imidazole
CID 14514379
1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
CID 14514380
1-[1-(4-methylphenyl)butyl]imidazole
CID 90765635
1-[1-(4-pentylphenyl)butyl]imidazole
CID 91168705
4-(1-imidazol-1-ylbutyl)benzonitrile
CID 14514362
1-[1-[3,5-bis(phenylmethoxy)phenyl]ethyl]imidazole
CID 172603383
propan-2-yl 4-(1-imidazol-1-ylbutyl)benzoate
CID 54557825
3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)benzoic acid
CID 23365307
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)-N-phenylbenzamide
CID 23365363
1-[1-[2-[(4-bromophenyl)methoxy]-5-pentylphenyl]butyl]imidazole
CID 91324500
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole?
The IUPAC name of 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole (CID 14514381) is 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole.
What is the SMILES notation for 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole?
The canonical SMILES for 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole is CCCC(c1ccc(COc2ccccc2)cc1)n1ccnc1.
What is the InChIKey of 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole?
The InChIKey is WHYNXMLXAORFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-6-20(22-14-13-21-16-22)18-11-9-17(10-12-18)15-23-19-7-4-3-5-8-19/h3-5,7-14,16,20H,2,6,15H2,1H3.
What are the key properties of 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole?
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole has a molecular weight of 306.41 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole is sourced from PubChem (CID 14514381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).