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

C15H17N5O2 — CID 155952946

IUPAC3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1nnc(CN(C)C(=O)CCn2cnc3ccccc32)o1
InChIInChI=1S/C15H17N5O2/c1-11-17-18-14(22-11)9-19(2)15(21)7-8-20-10-16-12-5-3-4-6-13(12)20/h3-6,10H,7-9H2,1-2H3
InChIKeyYSTJNBNRRXLXFW-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.78
Rot. Bonds5

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

3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 155952946) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID155952946
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1nnc(CN(C)C(=O)CCn2cnc3ccccc32)o1
InChIInChI=1S/C15H17N5O2/c1-11-17-18-14(22-11)9-19(2)15(21)7-8-20-10-16-12-5-3-4-6-13(12)20/h3-6,10H,7-9H2,1-2H3
InChIKeyYSTJNBNRRXLXFW-UHFFFAOYSA-N
XLogP1.78
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 134012463
2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid
CID 61022250
ethyl 5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylate
CID 170838347
3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide
CID 36848593
(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 25460689
3-(benzimidazol-1-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]propanamide
CID 33111074
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 47006781
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55457371

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 155952946) is 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is Cc1nnc(CN(C)C(=O)CCn2cnc3ccccc32)o1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is YSTJNBNRRXLXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11-17-18-14(22-11)9-19(2)15(21)7-8-20-10-16-12-5-3-4-6-13(12)20/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 299.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 155952946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).