N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide

C14H18N4O — CID 66118950

IUPACN,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2cncn2C)c(C)c1
InChIInChI=1S/C14H18N4O/c1-10-6-11(14(19)15-2)4-5-13(10)17-8-12-7-16-9-18(12)3/h4-7,9,17H,8H2,1-3H3,(H,15,19)
InChIKeyDDRMHBLPDWZPCR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.70
Rot. Bonds4

About N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide

N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide (PubChem CID 66118950) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide
PubChem CID66118950
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2cncn2C)c(C)c1
InChIInChI=1S/C14H18N4O/c1-10-6-11(14(19)15-2)4-5-13(10)17-8-12-7-16-9-18(12)3/h4-7,9,17H,8H2,1-3H3,(H,15,19)
InChIKeyDDRMHBLPDWZPCR-UHFFFAOYSA-N
XLogP1.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-4-[(3-methylimidazol-4-yl)methylamino]benzoate
CID 66118328
4-methoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66119597
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 43740066
4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide
CID 114936579
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
3-[(3-methylimidazol-4-yl)methylamino]-4-nitrobenzoic acid
CID 172762433
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzoic acid
CID 66116637
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
CID 43740112
4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
4-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-nitroaniline
CID 66118933

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide?
The IUPAC name of N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide (CID 66118950) is N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide?
The canonical SMILES for N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide is CNC(=O)c1ccc(NCc2cncn2C)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide?
The InChIKey is DDRMHBLPDWZPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-6-11(14(19)15-2)4-5-13(10)17-8-12-7-16-9-18(12)3/h4-7,9,17H,8H2,1-3H3,(H,15,19).
What are the key properties of N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide?
N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 66118950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).