N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride

C16H25ClN4O2 — CID 119406011

IUPACN-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
SMILESCCCn1c(=O)n(CCC(=O)NCCCN)c2ccccc21.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-2-11-19-13-6-3-4-7-14(13)20(16(19)22)12-8-15(21)18-10-5-9-17;/h3-4,6-7H,2,5,8-12,17H2,1H3,(H,18,21);1H
InChIKeyMZSBWGCCUJTKDU-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.49
Rot. Bonds8

About N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride

N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride (PubChem CID 119406011) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
PubChem CID119406011
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
SMILESCCCn1c(=O)n(CCC(=O)NCCCN)c2ccccc21.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-2-11-19-13-6-3-4-7-14(13)20(16(19)22)12-8-15(21)18-10-5-9-17;/h3-4,6-7H,2,5,8-12,17H2,1H3,(H,18,21);1H
InChIKeyMZSBWGCCUJTKDU-UHFFFAOYSA-N
XLogP1.49
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 111331415
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119556281
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
CID 27019412
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119573319
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
1-(4-oxohexyl)-3-propylbenzimidazol-2-one
CID 106801721
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride (CID 119406011) is N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride is CCCn1c(=O)n(CCC(=O)NCCCN)c2ccccc21.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride?
The InChIKey is MZSBWGCCUJTKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-2-11-19-13-6-3-4-7-14(13)20(16(19)22)12-8-15(21)18-10-5-9-17;/h3-4,6-7H,2,5,8-12,17H2,1H3,(H,18,21);1H.
What are the key properties of N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride?
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119406011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).