6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one

C17H16N4O2 — CID 46998821

IUPAC6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
SMILESCOc1cc(C)c(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)cc1C
InChIInChI=1S/C17H16N4O2/c1-8-5-15(23-3)9(2)4-10(8)16-18-11-6-13-14(7-12(11)19-16)21-17(22)20-13/h4-7H,1-3H3,(H,18,19)(H2,20,21,22)
InChIKeyXCQQUEOWNQCJGU-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.02
Rot. Bonds2

About 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one

6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one (PubChem CID 46998821) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one.

Molecular Properties

Compound Name6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
PubChem CID46998821
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
SMILESCOc1cc(C)c(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)cc1C
InChIInChI=1S/C17H16N4O2/c1-8-5-15(23-3)9(2)4-10(8)16-18-11-6-13-14(7-12(11)19-16)21-17(22)20-13/h4-7H,1-3H3,(H,18,19)(H2,20,21,22)
InChIKeyXCQQUEOWNQCJGU-UHFFFAOYSA-N
XLogP3.02
TPSA86.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one with MolForge

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Related Compounds

6,7-difluoro-2-(4-methoxy-2,5-dimethylphenyl)-3H-quinazolin-4-one
CID 163404460
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710701
2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 82144267
2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 61365501
2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110538773
2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535794
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methoxyaniline
CID 115411342
3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106521275
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894751
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one?
The IUPAC name of 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one (CID 46998821) is 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one.
What is the SMILES notation for 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one?
The canonical SMILES for 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one is COc1cc(C)c(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)cc1C.
What is the InChIKey of 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one?
The InChIKey is XCQQUEOWNQCJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-8-5-15(23-3)9(2)4-10(8)16-18-11-6-13-14(7-12(11)19-16)21-17(22)20-13/h4-7H,1-3H3,(H,18,19)(H2,20,21,22).
What are the key properties of 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one?
6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one has a molecular weight of 308.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one is sourced from PubChem (CID 46998821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).