methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate

C18H17ClN4O2 — CID 164562766

IUPACmethyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn(C)c1-c1ccc(C)nc1Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2/c1-11-8-9-12(16-15(18(24)25-3)20-10-23(16)2)17(21-11)22-14-7-5-4-6-13(14)19/h4-10H,1-3H3,(H,21,22)
InChIKeyZHZBEOPZSSOGSP-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.97
Rot. Bonds4

About methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate

methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate (PubChem CID 164562766) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate
PubChem CID164562766
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Namemethyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn(C)c1-c1ccc(C)nc1Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2/c1-11-8-9-12(16-15(18(24)25-3)20-10-23(16)2)17(21-11)22-14-7-5-4-6-13(14)19/h4-10H,1-3H3,(H,21,22)
InChIKeyZHZBEOPZSSOGSP-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[2-(2-chloro-3-fluoroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate
CID 164562849
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
methyl 4-[[4-(2-chloroanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112929619
N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 170546795
dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane
CID 143864925
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988
propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132136
methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate
CID 59363657
N-(2-chlorophenyl)-6-methylpyridin-2-amine
CID 119089748
methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate
CID 160833833
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate (CID 164562766) is methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate is COC(=O)c1ncn(C)c1-c1ccc(C)nc1Nc1ccccc1Cl.
What is the InChIKey of methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate?
The InChIKey is ZHZBEOPZSSOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-8-9-12(16-15(18(24)25-3)20-10-23(16)2)17(21-11)22-14-7-5-4-6-13(14)19/h4-10H,1-3H3,(H,21,22).
What are the key properties of methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate?
methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate is sourced from PubChem (CID 164562766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).