5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one

C18H17N3O — CID 171140821

IUPAC5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(/N=C/C=Cc3ccccc3)ccc21
InChIInChI=1S/C18H17N3O/c1-20-16-11-10-15(13-17(16)21(2)18(20)22)19-12-6-9-14-7-4-3-5-8-14/h3-13H,1-2H3/b9-6?,19-12+
InChIKeyCZJOAOZCYJSEEF-VEBJQGQQSA-N
MW291.35 g/mol
LogP3.29
Rot. Bonds3

About 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one

5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one (PubChem CID 171140821) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one
PubChem CID171140821
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(/N=C/C=Cc3ccccc3)ccc21
InChIInChI=1S/C18H17N3O/c1-20-16-11-10-15(13-17(16)21(2)18(20)22)19-12-6-9-14-7-4-3-5-8-14/h3-13H,1-2H3/b9-6?,19-12+
InChIKeyCZJOAOZCYJSEEF-VEBJQGQQSA-N
XLogP3.29
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one (CID 171140821) is 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(/N=C/C=Cc3ccccc3)ccc21.
What is the InChIKey of 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is CZJOAOZCYJSEEF-VEBJQGQQSA-N. The full InChI is InChI=1S/C18H17N3O/c1-20-16-11-10-15(13-17(16)21(2)18(20)22)19-12-6-9-14-7-4-3-5-8-14/h3-13H,1-2H3/b9-6?,19-12+.
What are the key properties of 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one?
5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 171140821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).