methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate

C14H16ClN3O3 — CID 103544590

IUPACmethyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2cc(C)c(Cl)cc2OC)c1N
InChIInChI=1S/C14H16ClN3O3/c1-7-5-10(11(20-3)6-9(7)15)18-8(2)17-12(13(18)16)14(19)21-4/h5-6H,16H2,1-4H3
InChIKeyKXPNHQVKEBWFPA-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.52
Rot. Bonds3

About methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate (PubChem CID 103544590) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate
PubChem CID103544590
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Namemethyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2cc(C)c(Cl)cc2OC)c1N
InChIInChI=1S/C14H16ClN3O3/c1-7-5-10(11(20-3)6-9(7)15)18-8(2)17-12(13(18)16)14(19)21-4/h5-6H,16H2,1-4H3
InChIKeyKXPNHQVKEBWFPA-UHFFFAOYSA-N
XLogP2.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
CID 103544528
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544266
1-(4-chloro-2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82197593
methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 103544792
methyl 5-amino-1-(2,4-dichlorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544472
ethyl 5-amino-1-(2,6-dichloro-4-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 83079131
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate
CID 66251247
4-(4-chloro-2-methoxy-5-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896157
methyl (2R)-2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 7214507
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate (CID 103544590) is methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(-c2cc(C)c(Cl)cc2OC)c1N.
What is the InChIKey of methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate?
The InChIKey is KXPNHQVKEBWFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-7-5-10(11(20-3)6-9(7)15)18-8(2)17-12(13(18)16)14(19)21-4/h5-6H,16H2,1-4H3.
What are the key properties of methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate has a molecular weight of 309.75 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103544590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).