methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate

C20H16Cl2N4O2 — CID 24758671

IUPACmethyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cncn1Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C
InChIInChI=1S/C20H16Cl2N4O2/c1-25-18(10-26-11-23-9-17(26)20(27)28-2)15-5-3-4-14(19(15)24-25)13-7-6-12(21)8-16(13)22/h3-9,11H,10H2,1-2H3
InChIKeyWXZZDOCBJLRFIN-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.58
Rot. Bonds4

About methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate

methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate (PubChem CID 24758671) has the molecular formula C20H16Cl2N4O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate
PubChem CID24758671
Molecular FormulaC20H16Cl2N4O2
Molecular Weight415.28 g/mol
Exact Mass414.07
IUPAC Namemethyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cncn1Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C
InChIInChI=1S/C20H16Cl2N4O2/c1-25-18(10-26-11-23-9-17(26)20(27)28-2)15-5-3-4-14(19(15)24-25)13-7-6-12(21)8-16(13)22/h3-9,11H,10H2,1-2H3
InChIKeyWXZZDOCBJLRFIN-UHFFFAOYSA-N
XLogP4.58
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate (CID 24758671) is methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate is COC(=O)c1cncn1Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C.
What is the InChIKey of methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate?
The InChIKey is WXZZDOCBJLRFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2/c1-25-18(10-26-11-23-9-17(26)20(27)28-2)15-5-3-4-14(19(15)24-25)13-7-6-12(21)8-16(13)22/h3-9,11H,10H2,1-2H3.
What are the key properties of methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate?
methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate has a molecular weight of 415.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 24758671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).