ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate

C23H20FN3O2 — CID 90167529

IUPACethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cncc(F)c2)n1Cc1cccc2ccccc12
InChIInChI=1S/C23H20FN3O2/c1-3-29-23(28)21-15(2)26-22(18-11-19(24)13-25-12-18)27(21)14-17-9-6-8-16-7-4-5-10-20(16)17/h4-13H,3,14H2,1-2H3
InChIKeyJUSVDIKDMJWFQT-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.77
Rot. Bonds5

About ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate

ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate (PubChem CID 90167529) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate
PubChem CID90167529
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Nameethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cncc(F)c2)n1Cc1cccc2ccccc12
InChIInChI=1S/C23H20FN3O2/c1-3-29-23(28)21-15(2)26-22(18-11-19(24)13-25-12-18)27(21)14-17-9-6-8-16-7-4-5-10-20(16)17/h4-13H,3,14H2,1-2H3
InChIKeyJUSVDIKDMJWFQT-UHFFFAOYSA-N
XLogP4.77
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate (CID 90167529) is ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-c2cncc(F)c2)n1Cc1cccc2ccccc12.
What is the InChIKey of ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate?
The InChIKey is JUSVDIKDMJWFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-3-29-23(28)21-15(2)26-22(18-11-19(24)13-25-12-18)27(21)14-17-9-6-8-16-7-4-5-10-20(16)17/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate?
ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-3-pyridinyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazole-4-carboxylate is sourced from PubChem (CID 90167529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).