2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid

C18H19N3O4 — CID 174562439

IUPAC2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)C=CC=C(C(=O)O)C1.c1ccc(Cc2ncc[nH]2)nc1
InChIInChI=1S/C9H9N3.C9H10O4/c1-2-4-10-8(3-1)7-9-11-5-6-12-9;1-9(8(12)13)4-2-3-6(5-9)7(10)11/h1-6H,7H2,(H,11,12);2-4H,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMEIWZBCJDOBMNR-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.44
Rot. Bonds4

About 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid

2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid (PubChem CID 174562439) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
PubChem CID174562439
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)C=CC=C(C(=O)O)C1.c1ccc(Cc2ncc[nH]2)nc1
InChIInChI=1S/C9H9N3.C9H10O4/c1-2-4-10-8(3-1)7-9-11-5-6-12-9;1-9(8(12)13)4-2-3-6(5-9)7(10)11/h1-6H,7H2,(H,11,12);2-4H,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMEIWZBCJDOBMNR-UHFFFAOYSA-N
XLogP2.44
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;2-propyl-1H-imidazole;hydrate
CID 174790194
tert-butyl pyridine-2-carboxylate;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174380776
heptadecane;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 175287614
1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;1-phenylcyclohexan-1-ol
CID 174747491
1-bromoprop-1-ene;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174371786
1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;octan-1-ol
CID 161038565
1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;1-(phenylmethoxymethyl)imidazolidine-2,4-dione
CID 174440117
2-[ethyl(sulfanyl)amino]acetic acid;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174533441
1-ethyl-2,3-dihydro-1λ5-phosphole 1-oxide;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 158384534
1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;1-(2-methylpropyl)piperazine
CID 174601188
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977
N-(1H-imidazol-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 64529840

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The IUPAC name of 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid (CID 174562439) is 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid is CC1(C(=O)O)C=CC=C(C(=O)O)C1.c1ccc(Cc2ncc[nH]2)nc1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The InChIKey is MEIWZBCJDOBMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C9H10O4/c1-2-4-10-8(3-1)7-9-11-5-6-12-9;1-9(8(12)13)4-2-3-6(5-9)7(10)11/h1-6H,7H2,(H,11,12);2-4H,5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethyl)pyridine;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid is sourced from PubChem (CID 174562439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).