N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C16H19N5O2 — CID 51328575

IUPACN-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)NCCCn2ccnc2)c2ccccc21
InChIInChI=1S/C16H19N5O2/c1-19-13-5-2-3-6-14(13)21(16(19)23)11-15(22)18-7-4-9-20-10-8-17-12-20/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3,(H,18,22)
InChIKeyZXUUYYMTKGPLNL-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.74
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 51328575) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID51328575
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)NCCCn2ccnc2)c2ccccc21
InChIInChI=1S/C16H19N5O2/c1-19-13-5-2-3-6-14(13)21(16(19)23)11-15(22)18-7-4-9-20-10-8-17-12-20/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3,(H,18,22)
InChIKeyZXUUYYMTKGPLNL-UHFFFAOYSA-N
XLogP0.74
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 91951089
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 38900942
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
1-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324255
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 51328575) is N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is Cn1c(=O)n(CC(=O)NCCCn2ccnc2)c2ccccc21.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is ZXUUYYMTKGPLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-19-13-5-2-3-6-14(13)21(16(19)23)11-15(22)18-7-4-9-20-10-8-17-12-20/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3,(H,18,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 51328575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).