3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide

C21H18N4O2 — CID 134208754

IUPAC3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2cccnc2)ccc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H18N4O2/c22-20(26)8-5-14-10-13(16-2-1-9-23-12-16)3-6-17(14)15-4-7-18-19(11-15)25-21(27)24-18/h1-4,6-7,9-12H,5,8H2,(H2,22,26)(H2,24,25,27)
InChIKeyXRRIIHXAMLKSDL-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.00
Rot. Bonds5

About 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide

3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide (PubChem CID 134208754) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide
PubChem CID134208754
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2cccnc2)ccc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H18N4O2/c22-20(26)8-5-14-10-13(16-2-1-9-23-12-16)3-6-17(14)15-4-7-18-19(11-15)25-21(27)24-18/h1-4,6-7,9-12H,5,8H2,(H2,22,26)(H2,24,25,27)
InChIKeyXRRIIHXAMLKSDL-UHFFFAOYSA-N
XLogP3.00
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide?
The IUPAC name of 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide (CID 134208754) is 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide.
What is the SMILES notation for 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide?
The canonical SMILES for 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide is NC(=O)CCc1cc(-c2cccnc2)ccc1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide?
The InChIKey is XRRIIHXAMLKSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-20(26)8-5-14-10-13(16-2-1-9-23-12-16)3-6-17(14)15-4-7-18-19(11-15)25-21(27)24-18/h1-4,6-7,9-12H,5,8H2,(H2,22,26)(H2,24,25,27).
What are the key properties of 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide?
3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide has a molecular weight of 358.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide is sourced from PubChem (CID 134208754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).