4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine

C20H23N3O — CID 57048676

IUPAC4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine
SMILESCC(C)C(c1ccncc1)c1cnc(COCc2ccccc2)[nH]1
InChIInChI=1S/C20H23N3O/c1-15(2)20(17-8-10-21-11-9-17)18-12-22-19(23-18)14-24-13-16-6-4-3-5-7-16/h3-12,15,20H,13-14H2,1-2H3,(H,22,23)
InChIKeyGDDCJRBNHQMEEP-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.31
Rot. Bonds7

About 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine

4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine (PubChem CID 57048676) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine.

Molecular Properties

Compound Name4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine
PubChem CID57048676
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine
SMILESCC(C)C(c1ccncc1)c1cnc(COCc2ccccc2)[nH]1
InChIInChI=1S/C20H23N3O/c1-15(2)20(17-8-10-21-11-9-17)18-12-22-19(23-18)14-24-13-16-6-4-3-5-7-16/h3-12,15,20H,13-14H2,1-2H3,(H,22,23)
InChIKeyGDDCJRBNHQMEEP-UHFFFAOYSA-N
XLogP4.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine?
The IUPAC name of 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine (CID 57048676) is 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine.
What is the SMILES notation for 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine?
The canonical SMILES for 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine is CC(C)C(c1ccncc1)c1cnc(COCc2ccccc2)[nH]1.
What is the InChIKey of 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine?
The InChIKey is GDDCJRBNHQMEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15(2)20(17-8-10-21-11-9-17)18-12-22-19(23-18)14-24-13-16-6-4-3-5-7-16/h3-12,15,20H,13-14H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine?
4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine has a molecular weight of 321.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine is sourced from PubChem (CID 57048676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).