1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole

C23H33ClN2O — CID 54387110

IUPAC1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole
SMILESCC(C)(C)C1CCC(C(CCn2ccnc2)OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H33ClN2O/c1-23(2,3)20-8-6-19(7-9-20)22(12-14-26-15-13-25-17-26)27-16-18-4-10-21(24)11-5-18/h4-5,10-11,13,15,17,19-20,22H,6-9,12,14,16H2,1-3H3
InChIKeyVDZXWTVZIRWBER-UHFFFAOYSA-N
MW388.98 g/mol
LogP6.36
Rot. Bonds7

About 1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole

1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole (PubChem CID 54387110) has the molecular formula C23H33ClN2O and a molecular weight of 388.98 g/mol. Its IUPAC name is 1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole
PubChem CID54387110
Molecular FormulaC23H33ClN2O
Molecular Weight388.98 g/mol
Exact Mass388.23
IUPAC Name1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole
SMILESCC(C)(C)C1CCC(C(CCn2ccnc2)OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H33ClN2O/c1-23(2,3)20-8-6-19(7-9-20)22(12-14-26-15-13-25-17-26)27-16-18-4-10-21(24)11-5-18/h4-5,10-11,13,15,17,19-20,22H,6-9,12,14,16H2,1-3H3
InChIKeyVDZXWTVZIRWBER-UHFFFAOYSA-N
XLogP6.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.98
LogP ≤ 56.36
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-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole?
The IUPAC name of 1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole (CID 54387110) is 1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole.
What is the SMILES notation for 1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole?
The canonical SMILES for 1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole is CC(C)(C)C1CCC(C(CCn2ccnc2)OCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole?
The InChIKey is VDZXWTVZIRWBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN2O/c1-23(2,3)20-8-6-19(7-9-20)22(12-14-26-15-13-25-17-26)27-16-18-4-10-21(24)11-5-18/h4-5,10-11,13,15,17,19-20,22H,6-9,12,14,16H2,1-3H3.
What are the key properties of 1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole?
1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole has a molecular weight of 388.98 g/mol, XLogP of 6.36, 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-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole is sourced from PubChem (CID 54387110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).