3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine

C21H16ClN3O — CID 70926048

IUPAC3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
SMILESClc1ccc(OCc2ccccc2)c(-c2cncn2-c2cccnc2)c1
InChIInChI=1S/C21H16ClN3O/c22-17-8-9-21(26-14-16-5-2-1-3-6-16)19(11-17)20-13-24-15-25(20)18-7-4-10-23-12-18/h1-13,15H,14H2
InChIKeyXIEVEIZPHKUMMM-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.17
Rot. Bonds5

About 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine

3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine (PubChem CID 70926048) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
PubChem CID70926048
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
SMILESClc1ccc(OCc2ccccc2)c(-c2cncn2-c2cccnc2)c1
InChIInChI=1S/C21H16ClN3O/c22-17-8-9-21(26-14-16-5-2-1-3-6-16)19(11-17)20-13-24-15-25(20)18-7-4-10-23-12-18/h1-13,15H,14H2
InChIKeyXIEVEIZPHKUMMM-UHFFFAOYSA-N
XLogP5.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine?
The IUPAC name of 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine (CID 70926048) is 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine.
What is the SMILES notation for 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine?
The canonical SMILES for 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine is Clc1ccc(OCc2ccccc2)c(-c2cncn2-c2cccnc2)c1.
What is the InChIKey of 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine?
The InChIKey is XIEVEIZPHKUMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-17-8-9-21(26-14-16-5-2-1-3-6-16)19(11-17)20-13-24-15-25(20)18-7-4-10-23-12-18/h1-13,15H,14H2.
What are the key properties of 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine?
3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine has a molecular weight of 361.83 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine is sourced from PubChem (CID 70926048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).