[1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate

C16H18Cl2N2O3 — CID 14181966

IUPAC[1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
SMILESCC(C)(C)C(COc1ccc(Cl)cc1Cl)OC(=O)n1ccnc1
InChIInChI=1S/C16H18Cl2N2O3/c1-16(2,3)14(23-15(21)20-7-6-19-10-20)9-22-13-5-4-11(17)8-12(13)18/h4-8,10,14H,9H2,1-3H3
InChIKeyNTZUHKYDJPYZGW-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.67
Rot. Bonds4

About [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate

[1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate (PubChem CID 14181966) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
PubChem CID14181966
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC Name[1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
SMILESCC(C)(C)C(COc1ccc(Cl)cc1Cl)OC(=O)n1ccnc1
InChIInChI=1S/C16H18Cl2N2O3/c1-16(2,3)14(23-15(21)20-7-6-19-10-20)9-22-13-5-4-11(17)8-12(13)18/h4-8,10,14H,9H2,1-3H3
InChIKeyNTZUHKYDJPYZGW-UHFFFAOYSA-N
XLogP4.67
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-butylphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
CID 14180192
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337250
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
(5-chloro-2-methoxyphenyl)-imidazol-1-ylmethanone
CID 68987646
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007496
1-[(Z)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479456
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol
CID 54083006
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide
CID 9060430
4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 52740396
(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate?
The IUPAC name of [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate (CID 14181966) is [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate.
What is the SMILES notation for [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate?
The canonical SMILES for [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate is CC(C)(C)C(COc1ccc(Cl)cc1Cl)OC(=O)n1ccnc1.
What is the InChIKey of [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate?
The InChIKey is NTZUHKYDJPYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-16(2,3)14(23-15(21)20-7-6-19-10-20)9-22-13-5-4-11(17)8-12(13)18/h4-8,10,14H,9H2,1-3H3.
What are the key properties of [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate?
[1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate has a molecular weight of 357.24 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate is sourced from PubChem (CID 14181966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).