[1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate

C20H28N2O3 — CID 14180192

IUPAC[1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
SMILESCCCCc1ccc(OCC(OC(=O)n2ccnc2)C(C)(C)C)cc1
InChIInChI=1S/C20H28N2O3/c1-5-6-7-16-8-10-17(11-9-16)24-14-18(20(2,3)4)25-19(23)22-13-12-21-15-22/h8-13,15,18H,5-7,14H2,1-4H3
InChIKeyIBWWWOYIGVWPGM-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.70
Rot. Bonds7

About [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate

[1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate (PubChem CID 14180192) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
PubChem CID14180192
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
SMILESCCCCc1ccc(OCC(OC(=O)n2ccnc2)C(C)(C)C)cc1
InChIInChI=1S/C20H28N2O3/c1-5-6-7-16-8-10-17(11-9-16)24-14-18(20(2,3)4)25-19(23)22-13-12-21-15-22/h8-13,15,18H,5-7,14H2,1-4H3
InChIKeyIBWWWOYIGVWPGM-UHFFFAOYSA-N
XLogP4.70
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
CID 14181966
butyl imidazole-1-carboxylate
CID 12840941
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone
CID 15951830
imidazol-1-yloxy-[1-(4-methoxyphenoxy)-3,3-dimethylbutan-2-yl]oxymethanethione
CID 141320594
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-butylbenzene
CID 115492516
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate
CID 51341654
[(2S)-1-(4-imidazol-1-ylphenoxy)-3,3-dimethylbutan-2-yl] N-[(3S)-2-hydroxy-1-(pyridin-2-ylsulfonylamino)heptan-3-yl]carbamate
CID 91183215
3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94273200
(4-methoxyphenyl)methyl imidazole-1-carboxylate
CID 58630007
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274

Frequently Asked Questions

What is the IUPAC name of [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate?
The IUPAC name of [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate (CID 14180192) is [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate.
What is the SMILES notation for [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate?
The canonical SMILES for [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate is CCCCc1ccc(OCC(OC(=O)n2ccnc2)C(C)(C)C)cc1.
What is the InChIKey of [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate?
The InChIKey is IBWWWOYIGVWPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-6-7-16-8-10-17(11-9-16)24-14-18(20(2,3)4)25-19(23)22-13-12-21-15-22/h8-13,15,18H,5-7,14H2,1-4H3.
What are the key properties of [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate?
[1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate is sourced from PubChem (CID 14180192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).