6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

C26H22N4O — CID 59869013

IUPAC6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCOc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1
InChIInChI=1S/C26H22N4O/c1-17-5-3-7-23(28-17)26-25(20-10-13-22-19(16-20)6-4-14-27-22)29-24(30-26)15-18-8-11-21(31-2)12-9-18/h3-14,16H,15H2,1-2H3,(H,29,30)
InChIKeyKWXOEBZRKKVOFV-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.59
Rot. Bonds5

About 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 59869013) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID59869013
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCOc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1
InChIInChI=1S/C26H22N4O/c1-17-5-3-7-23(28-17)26-25(20-10-13-22-19(16-20)6-4-14-27-22)29-24(30-26)15-18-8-11-21(31-2)12-9-18/h3-14,16H,15H2,1-2H3,(H,29,30)
InChIKeyKWXOEBZRKKVOFV-UHFFFAOYSA-N
XLogP5.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 59869013) is 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is COc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1.
What is the InChIKey of 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is KWXOEBZRKKVOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-17-5-3-7-23(28-17)26-25(20-10-13-22-19(16-20)6-4-14-27-22)29-24(30-26)15-18-8-11-21(31-2)12-9-18/h3-14,16H,15H2,1-2H3,(H,29,30).
What are the key properties of 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 406.49 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 59869013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).