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

C100H101Cl5N10O20 — CID 158274784

About 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

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 (PubChem CID 158274784) has the molecular formula C100H101Cl5N10O20 and a molecular weight of 1940.22 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158274784
• Molecular Formula: C100H101Cl5N10O20
• Molecular Weight: 1940.22 g/mol
• Exact Mass: 1936.56
• IUPAC Name: 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
• SMILES: COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1-c1ccccc1.COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1C1CCCCC1.COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1CCc1ccccc1.COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1.COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1
• InChI: InChI=1S/2C21H21ClN2O4.C20H19ClN2O4.C19H23ClN2O4.C19H17ClN2O4/c1-13-3-5-14(6-4-13)12-24-10-9-23-18(24)8-7-15-19(21(27)28-2)16(25)11-17(26)20(15)22;1-28-21(27)19-15(20(22)17(26)13-16(19)25)7-8-18-23-10-12-24(18)11-9-14-5-3-2-4-6-14;1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13;2*1-26-19(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/h3-6,9-11,25-26H,7-8,12H2,1-2H3;2-6,10,12-13,25-26H,7-9,11H2,1H3;2-6,9-11,24-25H,7-8,12H2,1H3;9-12,23-24H,2-8H2,1H3;2-6,9-11,23-24H,7-8H2,1H3
• InChIKey: GJLZOAPKZJOJMY-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 422.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1940.22
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1-c1ccccc1.COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1C1CCCCC1.COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1CCc1ccccc1.COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1.COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1.

What is the InChIKey of 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?

The InChIKey is GJLZOAPKZJOJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21ClN2O4.C20H19ClN2O4.C19H23ClN2O4.C19H17ClN2O4/c1-13-3-5-14(6-4-13)12-24-10-9-23-18(24)8-7-15-19(21(27)28-2)16(25)11-17(26)20(15)22;1-28-21(27)19-15(20(22)17(26)13-16(19)25)7-8-18-23-10-12-24(18)11-9-14-5-3-2-4-6-14;1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13;2*1-26-19(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/h3-6,9-11,25-26H,7-8,12H2,1-2H3;2-6,10,12-13,25-26H,7-9,11H2,1H3;2-6,9-11,24-25H,7-8,12H2,1H3;9-12,23-24H,2-8H2,1H3;2-6,9-11,23-24H,7-8H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 1940.22 g/mol, XLogP of 18.74, 29 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158274784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).