4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine

C22H18ClN3O2 — CID 10091882

IUPAC4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1OC
InChIInChI=1S/C22H18ClN3O2/c1-27-18-8-5-16(13-19(18)28-2)22-25-20(14-3-6-17(23)7-4-14)21(26-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,25,26)
InChIKeyVRLSJSRKZREEQF-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.48
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine

4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10091882) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID10091882
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1OC
InChIInChI=1S/C22H18ClN3O2/c1-27-18-8-5-16(13-19(18)28-2)22-25-20(14-3-6-17(23)7-4-14)21(26-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,25,26)
InChIKeyVRLSJSRKZREEQF-UHFFFAOYSA-N
XLogP5.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole
CID 134119534
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
2-amino-5-[2-(3-fluoro-4-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]pyridin-3-ol
CID 143864771
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline
CID 54208011
5-[2-(1H-indazol-5-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 59137327
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine
CID 54259769
4-[2-(4-chlorophenyl)-5-[2,4-di(propan-2-yloxy)phenyl]-1H-imidazol-4-yl]pyridine
CID 101418539

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine (CID 10091882) is 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine is COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1OC.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is VRLSJSRKZREEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-27-18-8-5-16(13-19(18)28-2)22-25-20(14-3-6-17(23)7-4-14)21(26-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,25,26).
What are the key properties of 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 391.86 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10091882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).