ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate

C20H19N3O4 — CID 142578070

IUPACethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc3c(c2)OCCO3)c(-c2ccnc(C)c2)[nH]1
InChIInChI=1S/C20H19N3O4/c1-3-25-20(24)19-22-17(18(23-19)14-6-7-21-12(2)10-14)13-4-5-15-16(11-13)27-9-8-26-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyMHXNMGKAIBUZHX-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.40
Rot. Bonds4

About ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate

ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate (PubChem CID 142578070) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate
PubChem CID142578070
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc3c(c2)OCCO3)c(-c2ccnc(C)c2)[nH]1
InChIInChI=1S/C20H19N3O4/c1-3-25-20(24)19-22-17(18(23-19)14-6-7-21-12(2)10-14)13-4-5-15-16(11-13)27-9-8-26-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyMHXNMGKAIBUZHX-UHFFFAOYSA-N
XLogP3.40
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine
CID 142578057
4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 142578036
5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine
CID 142578026
diethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 10761728
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036157
4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 142578077
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82306774
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
ethyl 7-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 63723819
1-[6-[2-[(4-methylphenyl)sulfanyl-[(4-methylphenyl)sulfanylmethyl]amino]-5-(2-methyl-4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 142578171
ethyl 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxylate
CID 154607822

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate?
The IUPAC name of ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate (CID 142578070) is ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate is CCOC(=O)c1nc(-c2ccc3c(c2)OCCO3)c(-c2ccnc(C)c2)[nH]1.
What is the InChIKey of ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate?
The InChIKey is MHXNMGKAIBUZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-25-20(24)19-22-17(18(23-19)14-6-7-21-12(2)10-14)13-4-5-15-16(11-13)27-9-8-26-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate?
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate is sourced from PubChem (CID 142578070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).