ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate

C32H35Cl2N3O5 — CID 159266373

IUPACethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2OC)n(C(C)C)c1C(Cc1cc(Cl)c(=O)n(CCO)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C32H35Cl2N3O5/c1-6-42-32(40)28-29(37(19(2)3)30(35-28)24-9-7-8-10-27(24)41-5)25(23-12-11-22(33)15-20(23)4)16-21-17-26(34)31(39)36(18-21)13-14-38/h7-12,15,17-19,25,38H,6,13-14,16H2,1-5H3
InChIKeyKXDPWOOODUVNTA-UHFFFAOYSA-N
MW612.55 g/mol
LogP6.46
Rot. Bonds11

About ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate

ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate (PubChem CID 159266373) has the molecular formula C32H35Cl2N3O5 and a molecular weight of 612.55 g/mol. Its IUPAC name is ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
PubChem CID159266373
Molecular FormulaC32H35Cl2N3O5
Molecular Weight612.55 g/mol
Exact Mass611.20
IUPAC Nameethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2OC)n(C(C)C)c1C(Cc1cc(Cl)c(=O)n(CCO)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C32H35Cl2N3O5/c1-6-42-32(40)28-29(37(19(2)3)30(35-28)24-9-7-8-10-27(24)41-5)25(23-12-11-22(33)15-20(23)4)16-21-17-26(34)31(39)36(18-21)13-14-38/h7-12,15,17-19,25,38H,6,13-14,16H2,1-5H3
InChIKeyKXDPWOOODUVNTA-UHFFFAOYSA-N
XLogP6.46
TPSA95.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.55
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylic acid
CID 159585192
5-[2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylic acid
CID 147365532
ethyl 5-[(4-chloro-2-hydroxyphenyl)-methylsulfanyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
CID 138657450
ethyl 2-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-1-propan-2-ylpyrrole-3-carboxylate
CID 159058375
ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
CID 144673461
ethyl 2-bromo-5-[2-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)ethyl]-1-[(2S)-1-methoxypropan-2-yl]imidazole-4-carboxylate
CID 158770465
2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid
CID 134261744
ethyl 2-(benzhydrylamino)-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate
CID 155590458
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate
CID 165153078
2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one
CID 155671994
ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate
CID 58838264

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate (CID 159266373) is ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2OC)n(C(C)C)c1C(Cc1cc(Cl)c(=O)n(CCO)c1)c1ccc(Cl)cc1C.
What is the InChIKey of ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate?
The InChIKey is KXDPWOOODUVNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35Cl2N3O5/c1-6-42-32(40)28-29(37(19(2)3)30(35-28)24-9-7-8-10-27(24)41-5)25(23-12-11-22(33)15-20(23)4)16-21-17-26(34)31(39)36(18-21)13-14-38/h7-12,15,17-19,25,38H,6,13-14,16H2,1-5H3.
What are the key properties of ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate?
ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate has a molecular weight of 612.55 g/mol, XLogP of 6.46, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate is sourced from PubChem (CID 159266373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).