1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole

C23H34N2O — CID 21415083

IUPAC1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole
SMILESCC(C)(C)c1ccc(COC(CCn2ccnc2)C2CCCCC2)cc1
InChIInChI=1S/C23H34N2O/c1-23(2,3)21-11-9-19(10-12-21)17-26-22(20-7-5-4-6-8-20)13-15-25-16-14-24-18-25/h9-12,14,16,18,20,22H,4-8,13,15,17H2,1-3H3
InChIKeyWTSOHLXOCLCESH-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.74
Rot. Bonds7

About 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole

1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole (PubChem CID 21415083) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole.

Molecular Properties

Compound Name1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole
PubChem CID21415083
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole
SMILESCC(C)(C)c1ccc(COC(CCn2ccnc2)C2CCCCC2)cc1
InChIInChI=1S/C23H34N2O/c1-23(2,3)21-11-9-19(10-12-21)17-26-22(20-7-5-4-6-8-20)13-15-25-16-14-24-18-25/h9-12,14,16,18,20,22H,4-8,13,15,17H2,1-3H3
InChIKeyWTSOHLXOCLCESH-UHFFFAOYSA-N
XLogP5.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole?
The IUPAC name of 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole (CID 21415083) is 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole.
What is the SMILES notation for 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole?
The canonical SMILES for 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole is CC(C)(C)c1ccc(COC(CCn2ccnc2)C2CCCCC2)cc1.
What is the InChIKey of 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole?
The InChIKey is WTSOHLXOCLCESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-23(2,3)21-11-9-19(10-12-21)17-26-22(20-7-5-4-6-8-20)13-15-25-16-14-24-18-25/h9-12,14,16,18,20,22H,4-8,13,15,17H2,1-3H3.
What are the key properties of 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole?
1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole has a molecular weight of 354.54 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-tert-butylphenyl)methoxy]-3-cyclohexylpropyl]imidazole is sourced from PubChem (CID 21415083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).