N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide

C15H19N3O — CID 110668596

IUPACN-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C15H19N3O/c1-15(2,3)8-14(19)18-12-6-4-5-11(7-12)13-9-16-10-17-13/h4-7,9-10H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQJSXJPPFSSFRSI-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.45
Rot. Bonds3

About N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide

N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide (PubChem CID 110668596) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
PubChem CID110668596
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C15H19N3O/c1-15(2,3)8-14(19)18-12-6-4-5-11(7-12)13-9-16-10-17-13/h4-7,9-10H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQJSXJPPFSSFRSI-UHFFFAOYSA-N
XLogP3.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-imidazol-5-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 110668610
4-[4-(1H-imidazol-5-yl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302307
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668566
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 118778285
N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
N-[3-(1H-imidazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 110668555
3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide
CID 118774173
3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide
CID 110713731
1-[3-(1H-imidazol-5-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58252487
N-[4-[5-[3-[2-[4-(3,3-dimethylbutanoylamino)phenyl]-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl]-3,3-dimethylbutanamide
CID 144664678
N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 131951100
1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131926620

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide (CID 110668596) is N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is QJSXJPPFSSFRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)8-14(19)18-12-6-4-5-11(7-12)13-9-16-10-17-13/h4-7,9-10H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide?
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 257.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110668596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).