3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine

C16H15N3O — CID 99963203

IUPAC3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
SMILESCOc1ccc(Cc2ncc(-c3cccnc3)[nH]2)cc1
InChIInChI=1S/C16H15N3O/c1-20-14-6-4-12(5-7-14)9-16-18-11-15(19-16)13-3-2-8-17-10-13/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyQCECPSCWFSRPOO-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.07
Rot. Bonds4

About 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine

3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine (PubChem CID 99963203) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
PubChem CID99963203
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
SMILESCOc1ccc(Cc2ncc(-c3cccnc3)[nH]2)cc1
InChIInChI=1S/C16H15N3O/c1-20-14-6-4-12(5-7-14)9-16-18-11-15(19-16)13-3-2-8-17-10-13/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyQCECPSCWFSRPOO-UHFFFAOYSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine (CID 99963203) is 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine is COc1ccc(Cc2ncc(-c3cccnc3)[nH]2)cc1.
What is the InChIKey of 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine?
The InChIKey is QCECPSCWFSRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-14-6-4-12(5-7-14)9-16-18-11-15(19-16)13-3-2-8-17-10-13/h2-8,10-11H,9H2,1H3,(H,18,19).
What are the key properties of 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine?
3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine has a molecular weight of 265.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 99963203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).