1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one

C23H22N2O — CID 673459

IUPAC1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one
SMILESCc1cc(C)c2c(c1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1
InChIInChI=1S/C23H22N2O/c1-17-13-18(2)22-21(14-17)24(15-19-9-5-3-6-10-19)23(26)25(22)16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyPPSDMKKYKZTMIS-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.52
Rot. Bonds4

About 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one

1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one (PubChem CID 673459) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one
PubChem CID673459
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one
SMILESCc1cc(C)c2c(c1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1
InChIInChI=1S/C23H22N2O/c1-17-13-18(2)22-21(14-17)24(15-19-9-5-3-6-10-19)23(26)25(22)16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyPPSDMKKYKZTMIS-UHFFFAOYSA-N
XLogP4.52
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one?
The IUPAC name of 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one (CID 673459) is 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one.
What is the SMILES notation for 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one?
The canonical SMILES for 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one is Cc1cc(C)c2c(c1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one?
The InChIKey is PPSDMKKYKZTMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-13-18(2)22-21(14-17)24(15-19-9-5-3-6-10-19)23(26)25(22)16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one?
1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one has a molecular weight of 342.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-4,6-dimethylbenzimidazol-2-one is sourced from PubChem (CID 673459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).