3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

C23H26N6O3 — CID 51133640

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)c2ccccc21
InChIInChI=1S/C23H26N6O3/c1-4-28-17-9-5-6-10-18(17)29(23(28)31)13-11-19(30)25-20(15(2)3)22-26-21(27-32-22)16-8-7-12-24-14-16/h5-10,12,14-15,20H,4,11,13H2,1-3H3,(H,25,30)
InChIKeyRJYHPIGUCXKOGY-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.17
Rot. Bonds8

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide (PubChem CID 51133640) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
PubChem CID51133640
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)c2ccccc21
InChIInChI=1S/C23H26N6O3/c1-4-28-17-9-5-6-10-18(17)29(23(28)31)13-11-19(30)25-20(15(2)3)22-26-21(27-32-22)16-8-7-12-24-14-16/h5-10,12,14-15,20H,4,11,13H2,1-3H3,(H,25,30)
InChIKeyRJYHPIGUCXKOGY-UHFFFAOYSA-N
XLogP3.17
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide (CID 51133640) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide is CCn1c(=O)n(CCC(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The InChIKey is RJYHPIGUCXKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-4-28-17-9-5-6-10-18(17)29(23(28)31)13-11-19(30)25-20(15(2)3)22-26-21(27-32-22)16-8-7-12-24-14-16/h5-10,12,14-15,20H,4,11,13H2,1-3H3,(H,25,30).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide has a molecular weight of 434.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide is sourced from PubChem (CID 51133640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).