N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide

C14H18N4O — CID 62747820

IUPACN,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(C)c(NCc2nc[nH]c2C)c1
InChIInChI=1S/C14H18N4O/c1-9-4-5-11(14(19)15-3)6-12(9)16-7-13-10(2)17-8-18-13/h4-6,8,16H,7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeySBUHSMDHFKFFBF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.00
Rot. Bonds4

About N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide

N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide (PubChem CID 62747820) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
PubChem CID62747820
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(C)c(NCc2nc[nH]c2C)c1
InChIInChI=1S/C14H18N4O/c1-9-4-5-11(14(19)15-3)6-12(9)16-7-13-10(2)17-8-18-13/h4-6,8,16H,7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeySBUHSMDHFKFFBF-UHFFFAOYSA-N
XLogP2.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide
CID 55109073
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
4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723
N,4-dimethyl-3-(thiophen-3-ylmethylamino)benzamide
CID 43726886
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
CID 66412324
3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
CID 43726901
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The IUPAC name of N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide (CID 62747820) is N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The canonical SMILES for N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide is CNC(=O)c1ccc(C)c(NCc2nc[nH]c2C)c1.
What is the InChIKey of N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The InChIKey is SBUHSMDHFKFFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-4-5-11(14(19)15-3)6-12(9)16-7-13-10(2)17-8-18-13/h4-6,8,16H,7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide has a molecular weight of 258.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62747820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).