methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate

C19H23ClN2O4 — CID 66562792

IUPACmethyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate
SMILESCOC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1C1CCCCC1
InChIInChI=1S/C19H23ClN2O4/c1-26-19(25)17-13(18(20)15(24)11-14(17)23)7-8-16-21-9-10-22(16)12-5-3-2-4-6-12/h9-12,23-24H,2-8H2,1H3
InChIKeyDZSFUXMMPKIEEZ-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.02
Rot. Bonds5

About methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate

methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate (PubChem CID 66562792) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate
PubChem CID66562792
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Namemethyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate
SMILESCOC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1C1CCCCC1
InChIInChI=1S/C19H23ClN2O4/c1-26-19(25)17-13(18(20)15(24)11-14(17)23)7-8-16-21-9-10-22(16)12-5-3-2-4-6-12/h9-12,23-24H,2-8H2,1H3
InChIKeyDZSFUXMMPKIEEZ-UHFFFAOYSA-N
XLogP4.02
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(1-benzylimidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate;methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate;methyl 3-chloro-4,6-dihydroxy-2-[2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]ethyl]benzoate;methyl 3-chloro-4,6-dihydroxy-2-[2-[1-(2-phenylethyl)imidazol-2-yl]ethyl]benzoate;methyl 3-chloro-4,6-dihydroxy-2-[2-(1-phenylimidazol-2-yl)ethyl]benzoate
CID 158274784
methyl 3-chloro-2-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-4,6-dihydroxybenzoate
CID 127048836
methyl 3-chloro-2-[2-[1-[(3-ethylthiophen-2-yl)methyl]imidazol-2-yl]ethyl]-4,6-dihydroxybenzoate
CID 127049520
methyl 2-[2-(1-benzylimidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate;methyl 6-[tert-butyl(dimethyl)silyl]oxy-3-chloro-4-methyl-2-(3-oxopropyl)benzoate
CID 160554942
methyl 3-chloro-4,6-dihydroxy-2-[2-(1-methylimidazol-2-yl)ethenyl]benzoate
CID 123880964
1-cycloheptylimidazole-2-carboxylic acid
CID 130609991
1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79634409
1-cyclohexyl-2-methylsulfonylimidazole
CID 82128342
methyl 3-cyclohexylimidazole-4-carboxylate
CID 14497626
methyl 3-chloro-2-(cyclopropylmethoxy)-6-hydroxy-4-methylbenzoate
CID 169245937
1-cyclopropyl-2-(2,2-dimethylpropyl)imidazole
CID 138748973
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate?
The IUPAC name of methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate (CID 66562792) is methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate.
What is the SMILES notation for methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate?
The canonical SMILES for methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate is COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1C1CCCCC1.
What is the InChIKey of methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate?
The InChIKey is DZSFUXMMPKIEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-26-19(25)17-13(18(20)15(24)11-14(17)23)7-8-16-21-9-10-22(16)12-5-3-2-4-6-12/h9-12,23-24H,2-8H2,1H3.
What are the key properties of methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate?
methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate has a molecular weight of 378.86 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-[2-(1-cyclohexylimidazol-2-yl)ethyl]-4,6-dihydroxybenzoate is sourced from PubChem (CID 66562792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).