4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine

C26H26ClN3O2 — CID 101418539

IUPAC4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine
SMILESCC(C)Oc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OC(C)C)c1
InChIInChI=1S/C26H26ClN3O2/c1-16(2)31-21-9-10-22(23(15-21)32-17(3)4)25-24(18-11-13-28-14-12-18)29-26(30-25)19-5-7-20(27)8-6-19/h5-17H,1-4H3,(H,29,30)
InChIKeyOFZGKGALPWHRAL-UHFFFAOYSA-N
MW447.97 g/mol
LogP7.03
Rot. Bonds7

About 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine

4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine (PubChem CID 101418539) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine
PubChem CID101418539
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine
SMILESCC(C)Oc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OC(C)C)c1
InChIInChI=1S/C26H26ClN3O2/c1-16(2)31-21-9-10-22(23(15-21)32-17(3)4)25-24(18-11-13-28-14-12-18)29-26(30-25)19-5-7-20(27)8-6-19/h5-17H,1-4H3,(H,29,30)
InChIKeyOFZGKGALPWHRAL-UHFFFAOYSA-N
XLogP7.03
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine?
The IUPAC name of 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine (CID 101418539) is 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine is CC(C)Oc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OC(C)C)c1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine?
The InChIKey is OFZGKGALPWHRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-16(2)31-21-9-10-22(23(15-21)32-17(3)4)25-24(18-11-13-28-14-12-18)29-26(30-25)19-5-7-20(27)8-6-19/h5-17H,1-4H3,(H,29,30).
What are the key properties of 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine?
4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine has a molecular weight of 447.97 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 101418539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).