N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide

C16H21N3O — CID 166215592

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
SMILESCc1ncn(-c2ccc(NC(=O)CC(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O/c1-11(2)9-16(20)18-14-5-7-15(8-6-14)19-10-17-12(3)13(19)4/h5-8,10-11H,9H2,1-4H3,(H,18,20)
InChIKeyOAEFZRMLRKQILX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide (PubChem CID 166215592) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
PubChem CID166215592
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
SMILESCc1ncn(-c2ccc(NC(=O)CC(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O/c1-11(2)9-16(20)18-14-5-7-15(8-6-14)19-10-17-12(3)13(19)4/h5-8,10-11H,9H2,1-4H3,(H,18,20)
InChIKeyOAEFZRMLRKQILX-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
CID 166278287
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
CID 166215873
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
CID 166248907
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
CID 166215727

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide (CID 166215592) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide is Cc1ncn(-c2ccc(NC(=O)CC(C)C)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide?
The InChIKey is OAEFZRMLRKQILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)9-16(20)18-14-5-7-15(8-6-14)19-10-17-12(3)13(19)4/h5-8,10-11H,9H2,1-4H3,(H,18,20).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide has a molecular weight of 271.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 166215592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).