1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole

C25H22N2O — CID 140627594

IUPAC1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
SMILESCc1cc(C(C)C)c(-n2ccnc2-c2ccccc2)c2c1oc1ccccc12
InChIInChI=1S/C25H22N2O/c1-16(2)20-15-17(3)24-22(19-11-7-8-12-21(19)28-24)23(20)27-14-13-26-25(27)18-9-5-4-6-10-18/h4-16H,1-3H3
InChIKeyWFLLHXCQKOBSEW-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.87
Rot. Bonds3

About 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole

1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole (PubChem CID 140627594) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole.

Molecular Properties

Compound Name1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
PubChem CID140627594
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
SMILESCc1cc(C(C)C)c(-n2ccnc2-c2ccccc2)c2c1oc1ccccc12
InChIInChI=1S/C25H22N2O/c1-16(2)20-15-17(3)24-22(19-11-7-8-12-21(19)28-24)23(20)27-14-13-26-25(27)18-9-5-4-6-10-18/h4-16H,1-3H3
InChIKeyWFLLHXCQKOBSEW-UHFFFAOYSA-N
XLogP6.87
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
1-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole
CID 160847265
7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 86711088
1-dibenzofuran-1-yl-2-phenylimidazole
CID 58400945
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
CID 58400883
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
CID 58400859
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(15-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)imidazole
CID 171051613
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole?
The IUPAC name of 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole (CID 140627594) is 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole.
What is the SMILES notation for 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole?
The canonical SMILES for 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole is Cc1cc(C(C)C)c(-n2ccnc2-c2ccccc2)c2c1oc1ccccc12.
What is the InChIKey of 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole?
The InChIKey is WFLLHXCQKOBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-16(2)20-15-17(3)24-22(19-11-7-8-12-21(19)28-24)23(20)27-14-13-26-25(27)18-9-5-4-6-10-18/h4-16H,1-3H3.
What are the key properties of 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole?
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole has a molecular weight of 366.46 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole is sourced from PubChem (CID 140627594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).