1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole

C26H26N2O — CID 138486784

IUPAC1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole
SMILESCc1ccccc1C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1
InChIInChI=1S/C26H26N2O/c1-18-9-5-7-11-22(18)26(3,4)28-16-15-27(17-28)24-19(2)13-14-21-20-10-6-8-12-23(20)29-25(21)24/h5-16H,17H2,1-4H3
InChIKeyXFFDGTWOTJMKCW-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.69
Rot. Bonds3

About 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole

1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole (PubChem CID 138486784) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole.

Molecular Properties

Compound Name1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole
PubChem CID138486784
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole
SMILESCc1ccccc1C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1
InChIInChI=1S/C26H26N2O/c1-18-9-5-7-11-22(18)26(3,4)28-16-15-27(17-28)24-19(2)13-14-21-20-10-6-8-12-23(20)29-25(21)24/h5-16H,17H2,1-4H3
InChIKeyXFFDGTWOTJMKCW-UHFFFAOYSA-N
XLogP6.69
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170140733
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
CID 167400605
CID 167400605
1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296040

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole?
The IUPAC name of 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole (CID 138486784) is 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole.
What is the SMILES notation for 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole?
The canonical SMILES for 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole is Cc1ccccc1C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1.
What is the InChIKey of 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole?
The InChIKey is XFFDGTWOTJMKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-18-9-5-7-11-22(18)26(3,4)28-16-15-27(17-28)24-19(2)13-14-21-20-10-6-8-12-23(20)29-25(21)24/h5-16H,17H2,1-4H3.
What are the key properties of 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole?
1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole has a molecular weight of 382.51 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole is sourced from PubChem (CID 138486784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).