3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide

C23H22N4O2S — CID 24594408

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCn1c(=O)n(C)c2ccccc21)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H22N4O2S/c1-3-14-27(22-24-18(16-30-22)17-9-5-4-6-10-17)21(28)13-15-26-20-12-8-7-11-19(20)25(2)23(26)29/h3-12,16H,1,13-15H2,2H3
InChIKeyVYDQSGUHRYVOOU-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.07
Rot. Bonds7

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide (PubChem CID 24594408) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
PubChem CID24594408
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCn1c(=O)n(C)c2ccccc21)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H22N4O2S/c1-3-14-27(22-24-18(16-30-22)17-9-5-4-6-10-17)21(28)13-15-26-20-12-8-7-11-19(20)25(2)23(26)29/h3-12,16H,1,13-15H2,2H3
InChIKeyVYDQSGUHRYVOOU-UHFFFAOYSA-N
XLogP4.07
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide (CID 24594408) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide is C=CCN(C(=O)CCn1c(=O)n(C)c2ccccc21)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide?
The InChIKey is VYDQSGUHRYVOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-3-14-27(22-24-18(16-30-22)17-9-5-4-6-10-17)21(28)13-15-26-20-12-8-7-11-19(20)25(2)23(26)29/h3-12,16H,1,13-15H2,2H3.
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide has a molecular weight of 418.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 24594408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).