5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one

C21H22N2O2 — CID 56655588

IUPAC5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3coc4ccccc34)cc21
InChIInChI=1S/C21H22N2O2/c1-21(2,3)13-23-17-10-9-14(11-18(17)22(4)20(23)24)16-12-25-19-8-6-5-7-15(16)19/h5-12H,13H2,1-4H3
InChIKeyLSMZOXOKEXTWIJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.80
Rot. Bonds2

About 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one

5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one (PubChem CID 56655588) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
PubChem CID56655588
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3coc4ccccc34)cc21
InChIInChI=1S/C21H22N2O2/c1-21(2,3)13-23-17-10-9-14(11-18(17)22(4)20(23)24)16-12-25-19-8-6-5-7-15(16)19/h5-12H,13H2,1-4H3
InChIKeyLSMZOXOKEXTWIJ-UHFFFAOYSA-N
XLogP4.80
TPSA40.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The IUPAC name of 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one (CID 56655588) is 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one.
What is the SMILES notation for 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The canonical SMILES for 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3coc4ccccc34)cc21.
What is the InChIKey of 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The InChIKey is LSMZOXOKEXTWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-21(2,3)13-23-17-10-9-14(11-18(17)22(4)20(23)24)16-12-25-19-8-6-5-7-15(16)19/h5-12H,13H2,1-4H3.
What are the key properties of 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one has a molecular weight of 334.42 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one is sourced from PubChem (CID 56655588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).