4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine

C23H20ClN3O — CID 54259769

IUPAC4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine
SMILESCOCc1cccc(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C23H20ClN3O/c1-15-4-3-5-18(14-28-2)20(15)23-26-21(16-6-8-19(24)9-7-16)22(27-23)17-10-12-25-13-11-17/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyRCQWLCAGKAKGIC-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.91
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine

4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine (PubChem CID 54259769) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine
PubChem CID54259769
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine
SMILESCOCc1cccc(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C23H20ClN3O/c1-15-4-3-5-18(14-28-2)20(15)23-26-21(16-6-8-19(24)9-7-16)22(27-23)17-10-12-25-13-11-17/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyRCQWLCAGKAKGIC-UHFFFAOYSA-N
XLogP5.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine (CID 54259769) is 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine is COCc1cccc(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine?
The InChIKey is RCQWLCAGKAKGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-15-4-3-5-18(14-28-2)20(15)23-26-21(16-6-8-19(24)9-7-16)22(27-23)17-10-12-25-13-11-17/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine?
4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine has a molecular weight of 389.89 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 54259769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).