2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide

C17H18N4O — CID 75679386

IUPAC2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCc1ccncc1)n1cnc2ccccc21
InChIInChI=1S/C17H18N4O/c1-13(21-12-20-15-4-2-3-5-16(15)21)17(22)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,12-13H,8,11H2,1H3,(H,19,22)
InChIKeyLAXFAAXXSXVLHY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.35
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide

2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 75679386) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID75679386
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCc1ccncc1)n1cnc2ccccc21
InChIInChI=1S/C17H18N4O/c1-13(21-12-20-15-4-2-3-5-16(15)21)17(22)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,12-13H,8,11H2,1H3,(H,19,22)
InChIKeyLAXFAAXXSXVLHY-UHFFFAOYSA-N
XLogP2.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 42959419
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
CID 56750658
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398
2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876740
2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
CID 46604692
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
CID 43063893
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide (CID 75679386) is 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide is CC(C(=O)NCCc1ccncc1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is LAXFAAXXSXVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13(21-12-20-15-4-2-3-5-16(15)21)17(22)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,12-13H,8,11H2,1H3,(H,19,22).
What are the key properties of 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide?
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 294.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 75679386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).