3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide

C13H16N4O — CID 55109073

IUPAC3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2cnc[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-9-3-4-10(13(18)14-2)5-12(9)16-7-11-6-15-8-17-11/h3-6,8,16H,7H2,1-2H3,(H,14,18)(H,15,17)
InChIKeySJYYBPXZVYCGEK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.69
Rot. Bonds4

About 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide

3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide (PubChem CID 55109073) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide
PubChem CID55109073
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2cnc[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-9-3-4-10(13(18)14-2)5-12(9)16-7-11-6-15-8-17-11/h3-6,8,16H,7H2,1-2H3,(H,14,18)(H,15,17)
InChIKeySJYYBPXZVYCGEK-UHFFFAOYSA-N
XLogP1.69
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747820
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66479341
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
N,4-dimethyl-3-(thiophen-3-ylmethylamino)benzamide
CID 43726886
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
CID 43726901
3-(1H-imidazol-5-ylmethylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82990886
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide?
The IUPAC name of 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide (CID 55109073) is 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide?
The canonical SMILES for 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NCc2cnc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide?
The InChIKey is SJYYBPXZVYCGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-3-4-10(13(18)14-2)5-12(9)16-7-11-6-15-8-17-11/h3-6,8,16H,7H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide?
3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide has a molecular weight of 244.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide is sourced from PubChem (CID 55109073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).