N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide

C19H19N3O3 — CID 6472813

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H19N3O3/c1-4-11-25-15-8-5-13(6-9-15)18(23)20-14-7-10-16-17(12-14)22(3)19(24)21(16)2/h4-10,12H,1,11H2,2-3H3,(H,20,23)
InChIKeyOWGPFWJXFNKEGD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.69
Rot. Bonds5

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide (PubChem CID 6472813) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide
PubChem CID6472813
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H19N3O3/c1-4-11-25-15-8-5-13(6-9-15)18(23)20-14-7-10-16-17(12-14)22(3)19(24)21(16)2/h4-10,12H,1,11H2,2-3H3,(H,20,23)
InChIKeyOWGPFWJXFNKEGD-UHFFFAOYSA-N
XLogP2.69
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide (CID 6472813) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide?
The InChIKey is OWGPFWJXFNKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-11-25-15-8-5-13(6-9-15)18(23)20-14-7-10-16-17(12-14)22(3)19(24)21(16)2/h4-10,12H,1,11H2,2-3H3,(H,20,23).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 6472813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).