3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C18H18N6O — CID 37212653

IUPAC3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCc1nnc2ccccn12
InChIInChI=1S/C18H18N6O/c25-18(9-12-23-13-20-14-5-1-2-6-15(14)23)19-10-8-17-22-21-16-7-3-4-11-24(16)17/h1-7,11,13H,8-10,12H2,(H,19,25)
InChIKeyVSWNDJXTULGNPX-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.83
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 37212653) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID37212653
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCc1nnc2ccccn12
InChIInChI=1S/C18H18N6O/c25-18(9-12-23-13-20-14-5-1-2-6-15(14)23)19-10-8-17-22-21-16-7-3-4-11-24(16)17/h1-7,11,13H,8-10,12H2,(H,19,25)
InChIKeyVSWNDJXTULGNPX-UHFFFAOYSA-N
XLogP1.83
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzimidazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
CID 37275239
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947367
3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947424
3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 77092597
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-(furan-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51279582
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 31618858
3-cyclohexyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 31618840

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 37212653) is 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is O=C(CCn1cnc2ccccc21)NCCc1nnc2ccccn12.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is VSWNDJXTULGNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(9-12-23-13-20-14-5-1-2-6-15(14)23)19-10-8-17-22-21-16-7-3-4-11-24(16)17/h1-7,11,13H,8-10,12H2,(H,19,25).
What are the key properties of 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 334.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 37212653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).