N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide

C14H17N3O — CID 37186383

IUPACN-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H17N3O/c1-14(2,3)13(18)16-11-4-6-12(7-5-11)17-9-8-15-10-17/h4-10H,1-3H3,(H,16,18)
InChIKeyNQBXPLXZRFRUJN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.86
Rot. Bonds2

About N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide

N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide (PubChem CID 37186383) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
PubChem CID37186383
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H17N3O/c1-14(2,3)13(18)16-11-4-6-12(7-5-11)17-9-8-15-10-17/h4-10H,1-3H3,(H,16,18)
InChIKeyNQBXPLXZRFRUJN-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide
CID 110470971
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154750878
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581
3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39035583
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 139822484

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide (CID 37186383) is N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide?
The InChIKey is NQBXPLXZRFRUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)13(18)16-11-4-6-12(7-5-11)17-9-8-15-10-17/h4-10H,1-3H3,(H,16,18).
What are the key properties of N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide?
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 37186383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).