N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide

C18H26N4O — CID 119600171

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H26N4O/c1-14(2)10-18(3,12-19)21-17(23)16-6-4-15(5-7-16)11-22-9-8-20-13-22/h4-9,13-14H,10-12,19H2,1-3H3,(H,21,23)
InChIKeyDBRUYGHZKSBZIH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.42
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 119600171) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID119600171
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H26N4O/c1-14(2)10-18(3,12-19)21-17(23)16-6-4-15(5-7-16)11-22-9-8-20-13-22/h4-9,13-14H,10-12,19H2,1-3H3,(H,21,23)
InChIKeyDBRUYGHZKSBZIH-UHFFFAOYSA-N
XLogP2.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119608814
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119597830
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119597620
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide (CID 119600171) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide is CC(C)CC(C)(CN)NC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is DBRUYGHZKSBZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)10-18(3,12-19)21-17(23)16-6-4-15(5-7-16)11-22-9-8-20-13-22/h4-9,13-14H,10-12,19H2,1-3H3,(H,21,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 314.43 g/mol, XLogP of 2.42, 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)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 119600171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).