5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole

C26H24N2O2 — CID 118303601

IUPAC5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole
SMILESCOc1ccc2cc(-c3nc(-c4cccc(C)c4)c(C4=CCOCC4)[nH]3)ccc2c1
InChIInChI=1S/C26H24N2O2/c1-17-4-3-5-21(14-17)25-24(18-10-12-30-13-11-18)27-26(28-25)22-7-6-20-16-23(29-2)9-8-19(20)15-22/h3-10,14-16H,11-13H2,1-2H3,(H,27,28)
InChIKeyHGORKMPPFFJAIU-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.02
Rot. Bonds4

About 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole

5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole (PubChem CID 118303601) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole
PubChem CID118303601
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole
SMILESCOc1ccc2cc(-c3nc(-c4cccc(C)c4)c(C4=CCOCC4)[nH]3)ccc2c1
InChIInChI=1S/C26H24N2O2/c1-17-4-3-5-21(14-17)25-24(18-10-12-30-13-11-18)27-26(28-25)22-7-6-20-16-23(29-2)9-8-19(20)15-22/h3-10,14-16H,11-13H2,1-2H3,(H,27,28)
InChIKeyHGORKMPPFFJAIU-UHFFFAOYSA-N
XLogP6.02
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole (CID 118303601) is 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole is COc1ccc2cc(-c3nc(-c4cccc(C)c4)c(C4=CCOCC4)[nH]3)ccc2c1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole?
The InChIKey is HGORKMPPFFJAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-17-4-3-5-21(14-17)25-24(18-10-12-30-13-11-18)27-26(28-25)22-7-6-20-16-23(29-2)9-8-19(20)15-22/h3-10,14-16H,11-13H2,1-2H3,(H,27,28).
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole?
5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole has a molecular weight of 396.49 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-yl)-2-(6-methoxynaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazole is sourced from PubChem (CID 118303601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).