N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide

C15H19N3O — CID 43918479

IUPACN-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H19N3O/c1-15(2,3)17-14(19)13-6-4-12(5-7-13)10-18-9-8-16-11-18/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyGEDYFTRSGGKHLU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.46
Rot. Bonds3

About N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide

N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 43918479) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
PubChem CID43918479
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H19N3O/c1-15(2,3)17-14(19)13-6-4-12(5-7-13)10-18-9-8-16-11-18/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyGEDYFTRSGGKHLU-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119608814
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 119600171
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide (CID 43918479) is N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide is CC(C)(C)NC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is GEDYFTRSGGKHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)17-14(19)13-6-4-12(5-7-13)10-18-9-8-16-11-18/h4-9,11H,10H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide?
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 43918479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).