N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide

C16H21N3O3 — CID 166254454

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
SMILESCc1ncn(-c2ccc(NC(=O)C(O)C(C)(C)O)cc2)c1C
InChIInChI=1S/C16H21N3O3/c1-10-11(2)19(9-17-10)13-7-5-12(6-8-13)18-15(21)14(20)16(3,4)22/h5-9,14,20,22H,1-4H3,(H,18,21)
InChIKeyWHYPCFYJHYXSRZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.56
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide (PubChem CID 166254454) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
PubChem CID166254454
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
SMILESCc1ncn(-c2ccc(NC(=O)C(O)C(C)(C)O)cc2)c1C
InChIInChI=1S/C16H21N3O3/c1-10-11(2)19(9-17-10)13-7-5-12(6-8-13)18-15(21)14(20)16(3,4)22/h5-9,14,20,22H,1-4H3,(H,18,21)
InChIKeyWHYPCFYJHYXSRZ-UHFFFAOYSA-N
XLogP1.56
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide (CID 166254454) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide is Cc1ncn(-c2ccc(NC(=O)C(O)C(C)(C)O)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide?
The InChIKey is WHYPCFYJHYXSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-11(2)19(9-17-10)13-7-5-12(6-8-13)18-15(21)14(20)16(3,4)22/h5-9,14,20,22H,1-4H3,(H,18,21).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide has a molecular weight of 303.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide is sourced from PubChem (CID 166254454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).