3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide

C19H25N7O — CID 122557122

IUPAC3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide
SMILESCCn1cncc1CNC(=O)c1cccc(-c2nc(N(C)C)n(CC)n2)c1
InChIInChI=1S/C19H25N7O/c1-5-25-13-20-11-16(25)12-21-18(27)15-9-7-8-14(10-15)17-22-19(24(3)4)26(6-2)23-17/h7-11,13H,5-6,12H2,1-4H3,(H,21,27)
InChIKeyODKRRQRQWFJRQU-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.18
Rot. Bonds7

About 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide

3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide (PubChem CID 122557122) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide
PubChem CID122557122
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide
SMILESCCn1cncc1CNC(=O)c1cccc(-c2nc(N(C)C)n(CC)n2)c1
InChIInChI=1S/C19H25N7O/c1-5-25-13-20-11-16(25)12-21-18(27)15-9-7-8-14(10-15)17-22-19(24(3)4)26(6-2)23-17/h7-11,13H,5-6,12H2,1-4H3,(H,21,27)
InChIKeyODKRRQRQWFJRQU-UHFFFAOYSA-N
XLogP2.18
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide with MolForge

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]benzamide
CID 125443356
3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 119070135
3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 118763050
3-(2,5-dimethyl-1H-imidazol-4-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide;formic acid
CID 154908951
methyl 3-[(3-ethylimidazol-4-yl)methylamino]benzoate
CID 66133977
N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 119059192
2-ethyl-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 119071928
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 50955551
3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
CID 122566280
4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide
CID 66133167
1-[4-amino-3-[(3-ethylimidazol-4-yl)methylamino]phenyl]ethanone
CID 165037777

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide?
The IUPAC name of 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide (CID 122557122) is 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide is CCn1cncc1CNC(=O)c1cccc(-c2nc(N(C)C)n(CC)n2)c1.
What is the InChIKey of 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide?
The InChIKey is ODKRRQRQWFJRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-5-25-13-20-11-16(25)12-21-18(27)15-9-7-8-14(10-15)17-22-19(24(3)4)26(6-2)23-17/h7-11,13H,5-6,12H2,1-4H3,(H,21,27).
What are the key properties of 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide?
3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide has a molecular weight of 367.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122557122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).