3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide

C16H16N4O2 — CID 31245066

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
SMILESCn1c(=O)n(CCC(=O)Nc2cccnc2)c2ccccc21
InChIInChI=1S/C16H16N4O2/c1-19-13-6-2-3-7-14(13)20(16(19)22)10-8-15(21)18-12-5-4-9-17-11-12/h2-7,9,11H,8,10H2,1H3,(H,18,21)
InChIKeyWGVHODOEIQVXIF-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.76
Rot. Bonds4

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide (PubChem CID 31245066) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
PubChem CID31245066
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
SMILESCn1c(=O)n(CCC(=O)Nc2cccnc2)c2ccccc21
InChIInChI=1S/C16H16N4O2/c1-19-13-6-2-3-7-14(13)20(16(19)22)10-8-15(21)18-12-5-4-9-17-11-12/h2-7,9,11H,8,10H2,1H3,(H,18,21)
InChIKeyWGVHODOEIQVXIF-UHFFFAOYSA-N
XLogP1.76
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-nitrophenyl)propanamide
CID 16961963
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
CID 18139030
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 16598987
N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592019
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 155946246
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16594440
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592754
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16591097
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16602721

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide (CID 31245066) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide is Cn1c(=O)n(CCC(=O)Nc2cccnc2)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is WGVHODOEIQVXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-19-13-6-2-3-7-14(13)20(16(19)22)10-8-15(21)18-12-5-4-9-17-11-12/h2-7,9,11H,8,10H2,1H3,(H,18,21).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 296.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 31245066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).