N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide

C19H20N4O2 — CID 42959454

IUPACN-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
SMILESCC(C(=O)NCCNC(=O)c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-14(23-13-22-16-9-5-6-10-17(16)23)18(24)20-11-12-21-19(25)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyVQTVRMPEBRWWAW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.14
Rot. Bonds6

About N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide

N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide (PubChem CID 42959454) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
PubChem CID42959454
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
SMILESCC(C(=O)NCCNC(=O)c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-14(23-13-22-16-9-5-6-10-17(16)23)18(24)20-11-12-21-19(25)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyVQTVRMPEBRWWAW-UHFFFAOYSA-N
XLogP2.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
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-hydroxypentyl)propanamide
CID 115700986
benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
CID 43063893
2-(benzimidazol-1-yl)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propanamide
CID 77086029
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
CID 125177370
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide (CID 42959454) is N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide is CC(C(=O)NCCNC(=O)c1ccccc1)n1cnc2ccccc21.
What is the InChIKey of N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide?
The InChIKey is VQTVRMPEBRWWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(23-13-22-16-9-5-6-10-17(16)23)18(24)20-11-12-21-19(25)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide?
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 42959454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).