3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

C21H21N5O3 — CID 46976264

IUPAC3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCn1c(=O)n(C)c2cc(CCC(=O)NCc3nnc(-c4ccccc4)o3)ccc21
InChIInChI=1S/C21H21N5O3/c1-25-16-10-8-14(12-17(16)26(2)21(25)28)9-11-18(27)22-13-19-23-24-20(29-19)15-6-4-3-5-7-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,27)
InChIKeyJHOHSYKMVDTIMU-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.18
Rot. Bonds6

About 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 46976264) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID46976264
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCn1c(=O)n(C)c2cc(CCC(=O)NCc3nnc(-c4ccccc4)o3)ccc21
InChIInChI=1S/C21H21N5O3/c1-25-16-10-8-14(12-17(16)26(2)21(25)28)9-11-18(27)22-13-19-23-24-20(29-19)15-6-4-3-5-7-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,27)
InChIKeyJHOHSYKMVDTIMU-UHFFFAOYSA-N
XLogP2.18
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 46976264) is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is Cn1c(=O)n(C)c2cc(CCC(=O)NCc3nnc(-c4ccccc4)o3)ccc21.
What is the InChIKey of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is JHOHSYKMVDTIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-25-16-10-8-14(12-17(16)26(2)21(25)28)9-11-18(27)22-13-19-23-24-20(29-19)15-6-4-3-5-7-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,27).
What are the key properties of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 391.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 46976264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).