2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol

C16H22ClN3O2 — CID 67650371

IUPAC2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol
SMILESCCNC(C)(C)C(O)(Cn1ccnc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O2/c1-4-19-15(2,3)16(21,11-20-10-9-18-12-20)22-14-7-5-13(17)6-8-14/h5-10,12,19,21H,4,11H2,1-3H3
InChIKeyFYCUUMHKVNAFJI-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.69
Rot. Bonds7

About 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol

2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol (PubChem CID 67650371) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol
PubChem CID67650371
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol
SMILESCCNC(C)(C)C(O)(Cn1ccnc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O2/c1-4-19-15(2,3)16(21,11-20-10-9-18-12-20)22-14-7-5-13(17)6-8-14/h5-10,12,19,21H,4,11H2,1-3H3
InChIKeyFYCUUMHKVNAFJI-UHFFFAOYSA-N
XLogP2.69
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole
CID 70502718
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68910140
2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride
CID 70462522
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
CID 22763056
3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
CID 22762962
2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol
CID 14988709
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol?
The IUPAC name of 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol (CID 67650371) is 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol is CCNC(C)(C)C(O)(Cn1ccnc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol?
The InChIKey is FYCUUMHKVNAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-4-19-15(2,3)16(21,11-20-10-9-18-12-20)22-14-7-5-13(17)6-8-14/h5-10,12,19,21H,4,11H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol?
2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol has a molecular weight of 323.82 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol is sourced from PubChem (CID 67650371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).