2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate

C18H16ClN3O3 — CID 166196789

IUPAC2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCOc1cccnc1
InChIInChI=1S/C18H16ClN3O3/c1-12-16(22-17(21-12)13-4-2-5-14(19)10-13)18(23)25-9-8-24-15-6-3-7-20-11-15/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyOJPRRLSNQMWMDX-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.67
Rot. Bonds6

About 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate

2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 166196789) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
PubChem CID166196789
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCOc1cccnc1
InChIInChI=1S/C18H16ClN3O3/c1-12-16(22-17(21-12)13-4-2-5-14(19)10-13)18(23)25-9-8-24-15-6-3-7-20-11-15/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyOJPRRLSNQMWMDX-UHFFFAOYSA-N
XLogP3.67
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate (CID 166196789) is 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate is Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCOc1cccnc1.
What is the InChIKey of 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is OJPRRLSNQMWMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-12-16(22-17(21-12)13-4-2-5-14(19)10-13)18(23)25-9-8-24-15-6-3-7-20-11-15/h2-7,10-11H,8-9H2,1H3,(H,21,22).
What are the key properties of 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 357.80 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxyethyl 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 166196789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).