3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide

C17H24N4O — CID 70723626

IUPAC3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)Cn1ccnc1-c1cccc(CN(C)C)c1
InChIInChI=1S/C17H24N4O/c1-13(17(22)18-2)11-21-9-8-19-16(21)15-7-5-6-14(10-15)12-20(3)4/h5-10,13H,11-12H2,1-4H3,(H,18,22)
InChIKeyJEHCTRVKLNQDBG-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.99
Rot. Bonds6

About 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide

3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide (PubChem CID 70723626) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide
PubChem CID70723626
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)Cn1ccnc1-c1cccc(CN(C)C)c1
InChIInChI=1S/C17H24N4O/c1-13(17(22)18-2)11-21-9-8-19-16(21)15-7-5-6-14(10-15)12-20(3)4/h5-10,13H,11-12H2,1-4H3,(H,18,22)
InChIKeyJEHCTRVKLNQDBG-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide?
The IUPAC name of 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide (CID 70723626) is 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide is CNC(=O)C(C)Cn1ccnc1-c1cccc(CN(C)C)c1.
What is the InChIKey of 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide?
The InChIKey is JEHCTRVKLNQDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(17(22)18-2)11-21-9-8-19-16(21)15-7-5-6-14(10-15)12-20(3)4/h5-10,13H,11-12H2,1-4H3,(H,18,22).
What are the key properties of 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide?
3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide has a molecular weight of 300.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 70723626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).