3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide

C17H18N4O2 — CID 34879800

IUPAC3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide
SMILESCCOc1ncccc1NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-2-23-17-14(7-5-10-18-17)20-16(22)9-11-21-12-19-13-6-3-4-8-15(13)21/h3-8,10,12H,2,9,11H2,1H3,(H,20,22)
InChIKeyBKSGSFRTPIMZRA-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.86
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide

3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide (PubChem CID 34879800) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide
PubChem CID34879800
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide
SMILESCCOc1ncccc1NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-2-23-17-14(7-5-10-18-17)20-16(22)9-11-21-12-19-13-6-3-4-8-15(13)21/h3-8,10,12H,2,9,11H2,1H3,(H,20,22)
InChIKeyBKSGSFRTPIMZRA-UHFFFAOYSA-N
XLogP2.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576832
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 53064222
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819900
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16785328
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 51096694
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide (CID 34879800) is 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide is CCOc1ncccc1NC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide?
The InChIKey is BKSGSFRTPIMZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-23-17-14(7-5-10-18-17)20-16(22)9-11-21-12-19-13-6-3-4-8-15(13)21/h3-8,10,12H,2,9,11H2,1H3,(H,20,22).
What are the key properties of 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide?
3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 34879800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).