1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one

C16H19ClN2O2 — CID 122173815

IUPAC1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)C(Oc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C16H19ClN2O2/c1-16(2,3)10-14(20)15(19-9-8-18-11-19)21-13-6-4-12(17)5-7-13/h4-9,11,15H,10H2,1-3H3
InChIKeyUYOOUWDEHUTKHD-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one

1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one (PubChem CID 122173815) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
PubChem CID122173815
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)C(Oc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C16H19ClN2O2/c1-16(2,3)10-14(20)15(19-9-8-18-11-19)21-13-6-4-12(17)5-7-13/h4-9,11,15H,10H2,1-3H3
InChIKeyUYOOUWDEHUTKHD-UHFFFAOYSA-N
XLogP4.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxobutanoate
CID 54262414
4-(4-chlorophenoxy)-2,2-diethyl-4-imidazol-1-yl-3-oxobutanoic acid
CID 20538649
[4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] 2-methylprop-2-enoate
CID 23350041
2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
CID 131883283
[4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] tetradecanoate
CID 21319188
4-(4-fluorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutanoic acid
CID 20538663
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole
CID 174936173
1-[1-(4-chlorophenoxy)butyl]imidazole
CID 70528757
5-(4-chlorophenoxy)-1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylpentan-2-ol
CID 13322910
(1R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one
CID 679161
1-(4-chlorophenyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
CID 57000012
1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole
CID 23335433

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one?
The IUPAC name of 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one (CID 122173815) is 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one is CC(C)(C)CC(=O)C(Oc1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one?
The InChIKey is UYOOUWDEHUTKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-16(2,3)10-14(20)15(19-9-8-18-11-19)21-13-6-4-12(17)5-7-13/h4-9,11,15H,10H2,1-3H3.
What are the key properties of 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one?
1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one has a molecular weight of 306.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one is sourced from PubChem (CID 122173815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).