3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide

C16H22N4O — CID 56720189

IUPAC3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H22N4O/c1-13(10-16(21)17-2)19(3)11-14-4-6-15(7-5-14)20-9-8-18-12-20/h4-9,12-13H,10-11H2,1-3H3,(H,17,21)
InChIKeyFKUSNXIHZLETHW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.83
Rot. Bonds6

About 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide

3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide (PubChem CID 56720189) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide
PubChem CID56720189
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H22N4O/c1-13(10-16(21)17-2)19(3)11-14-4-6-15(7-5-14)20-9-8-18-12-20/h4-9,12-13H,10-11H2,1-3H3,(H,17,21)
InChIKeyFKUSNXIHZLETHW-UHFFFAOYSA-N
XLogP1.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
CID 50985142
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
1-benzyl-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 51928394
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine
CID 56709254
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86850598
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281

Frequently Asked Questions

What is the IUPAC name of 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide?
The IUPAC name of 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide (CID 56720189) is 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide?
The canonical SMILES for 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide is CNC(=O)CC(C)N(C)Cc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide?
The InChIKey is FKUSNXIHZLETHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(10-16(21)17-2)19(3)11-14-4-6-15(7-5-14)20-9-8-18-12-20/h4-9,12-13H,10-11H2,1-3H3,(H,17,21).
What are the key properties of 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide?
3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 56720189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).