N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide

C16H20N4O2 — CID 166215428

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
SMILESCc1ncn(-c2ccc(NC(=O)CC(=O)N(C)C)cc2)c1C
InChIInChI=1S/C16H20N4O2/c1-11-12(2)20(10-17-11)14-7-5-13(6-8-14)18-15(21)9-16(22)19(3)4/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeyZVOUQKWUKXPLKA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.91
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide (PubChem CID 166215428) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
PubChem CID166215428
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
SMILESCc1ncn(-c2ccc(NC(=O)CC(=O)N(C)C)cc2)c1C
InChIInChI=1S/C16H20N4O2/c1-11-12(2)20(10-17-11)14-7-5-13(6-8-14)18-15(21)9-16(22)19(3)4/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeyZVOUQKWUKXPLKA-UHFFFAOYSA-N
XLogP1.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
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
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
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
4-(4,5-dimethylimidazol-1-yl)-N-methylaniline
CID 167254257
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide
CID 166350114

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide (CID 166215428) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide is Cc1ncn(-c2ccc(NC(=O)CC(=O)N(C)C)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide?
The InChIKey is ZVOUQKWUKXPLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-12(2)20(10-17-11)14-7-5-13(6-8-14)18-15(21)9-16(22)19(3)4/h5-8,10H,9H2,1-4H3,(H,18,21).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide has a molecular weight of 300.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide is sourced from PubChem (CID 166215428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).