1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole

C24H24N4O3 — CID 153433499

IUPAC1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole
SMILESCc1nc(Oc2ccc3oc4ccc(Oc5nc(C)n(C)c5C)cc4c3c2)c(C)n1C
InChIInChI=1S/C24H24N4O3/c1-13-23(25-15(3)27(13)5)29-17-7-9-21-19(11-17)20-12-18(8-10-22(20)31-21)30-24-14(2)28(6)16(4)26-24/h7-12H,1-6H3
InChIKeyUCVODSJPXGDBSP-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.87
Rot. Bonds4

About 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole

1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole (PubChem CID 153433499) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole.

Molecular Properties

Compound Name1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole
PubChem CID153433499
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole
SMILESCc1nc(Oc2ccc3oc4ccc(Oc5nc(C)n(C)c5C)cc4c3c2)c(C)n1C
InChIInChI=1S/C24H24N4O3/c1-13-23(25-15(3)27(13)5)29-17-7-9-21-19(11-17)20-12-18(8-10-22(20)31-21)30-24-14(2)28(6)16(4)26-24/h7-12H,1-6H3
InChIKeyUCVODSJPXGDBSP-UHFFFAOYSA-N
XLogP5.87
TPSA67.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole
CID 153433483
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
5-chloro-4-dibenzofuran-2-yloxypyrimidine
CID 166218206
2-methoxy-7-methyldibenzofuran
CID 122387372
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide
CID 56665143
N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56672920
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
CID 56668867
2-(8-bromodibenzofuran-2-yl)oxypyridine
CID 139515976
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56679439
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
CID 115007766
CID 67500547
CID 67500547

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole?
The IUPAC name of 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole (CID 153433499) is 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole.
What is the SMILES notation for 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole?
The canonical SMILES for 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole is Cc1nc(Oc2ccc3oc4ccc(Oc5nc(C)n(C)c5C)cc4c3c2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole?
The InChIKey is UCVODSJPXGDBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-13-23(25-15(3)27(13)5)29-17-7-9-21-19(11-17)20-12-18(8-10-22(20)31-21)30-24-14(2)28(6)16(4)26-24/h7-12H,1-6H3.
What are the key properties of 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole?
1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole has a molecular weight of 416.48 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole is sourced from PubChem (CID 153433499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).