N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide

C17H26N4O — CID 119598214

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C17H26N4O/c1-13(2)10-17(3,11-18)20-16(22)8-9-21-12-19-14-6-4-5-7-15(14)21/h4-7,12-13H,8-11,18H2,1-3H3,(H,20,22)
InChIKeyJILUBGCEHNIDHW-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.31
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide (PubChem CID 119598214) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide
PubChem CID119598214
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C17H26N4O/c1-13(2)10-17(3,11-18)20-16(22)8-9-21-12-19-14-6-4-5-7-15(14)21/h4-7,12-13H,8-11,18H2,1-3H3,(H,20,22)
InChIKeyJILUBGCEHNIDHW-UHFFFAOYSA-N
XLogP2.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545
3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
CID 122230767
3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111520132
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114475
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119597830
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride
CID 119665891
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide (CID 119598214) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide is CC(C)CC(C)(CN)NC(=O)CCn1cnc2ccccc21.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide?
The InChIKey is JILUBGCEHNIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13(2)10-17(3,11-18)20-16(22)8-9-21-12-19-14-6-4-5-7-15(14)21/h4-7,12-13H,8-11,18H2,1-3H3,(H,20,22).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide is sourced from PubChem (CID 119598214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).