[1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate

C19H26ClN3O3 — CID 21320036

IUPAC[1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate
SMILESCNC(=O)OC(C(Oc1cc(C)c(Cl)c(C)c1)n1ccnc1)C(C)(C)C
InChIInChI=1S/C19H26ClN3O3/c1-12-9-14(10-13(2)15(12)20)25-17(23-8-7-22-11-23)16(19(3,4)5)26-18(24)21-6/h7-11,16-17H,1-6H3,(H,21,24)
InChIKeyWXDXXKUAAOFRDH-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.50
Rot. Bonds5

About [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate

[1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate (PubChem CID 21320036) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate
PubChem CID21320036
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name[1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate
SMILESCNC(=O)OC(C(Oc1cc(C)c(Cl)c(C)c1)n1ccnc1)C(C)(C)C
InChIInChI=1S/C19H26ClN3O3/c1-12-9-14(10-13(2)15(12)20)25-17(23-8-7-22-11-23)16(19(3,4)5)26-18(24)21-6/h7-11,16-17H,1-6H3,(H,21,24)
InChIKeyWXDXXKUAAOFRDH-UHFFFAOYSA-N
XLogP4.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate 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

[1-(3,4-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate
CID 21320013
[1-imidazol-1-yl-3,3-dimethyl-1-(4-methylsulfanylphenoxy)butan-2-yl] acetate
CID 21320017
[1-imidazol-1-yl-3,3-dimethyl-1-(4-nitrophenoxy)butan-2-yl] acetate
CID 21320024
(1-imidazol-1-yl-3,3-dimethyl-1-phenoxybutan-2-yl) cyclohexanecarboxylate
CID 21320011
4-bromo-4-hydroxy-2-[imidazol-1-yl-(4-phenylphenoxy)methyl]-N,3,3-trimethylbutanamide
CID 70600206
methyl 3-(4-chloro-3,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 79623048
1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
CID 122173815
1-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]-3-methylthiourea
CID 40646235
[3-[ethoxy(methyl)carbamoyl]oxy-4-imidazol-1-yl-2,2-dimethyl-4-(4-phenylphenoxy)butyl] acetate
CID 54260124
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849
ethyl 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxobutanoate
CID 54262414
5-(4-chlorophenoxy)-1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylpentan-2-ol
CID 13322910

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate?
The IUPAC name of [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate (CID 21320036) is [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate.
What is the SMILES notation for [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate?
The canonical SMILES for [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate is CNC(=O)OC(C(Oc1cc(C)c(Cl)c(C)c1)n1ccnc1)C(C)(C)C.
What is the InChIKey of [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate?
The InChIKey is WXDXXKUAAOFRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-12-9-14(10-13(2)15(12)20)25-17(23-8-7-22-11-23)16(19(3,4)5)26-18(24)21-6/h7-11,16-17H,1-6H3,(H,21,24).
What are the key properties of [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate?
[1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate has a molecular weight of 379.89 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3,5-dimethylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] N-methylcarbamate is sourced from PubChem (CID 21320036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).