N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide

C21H24N4O — CID 71988778

IUPACN-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(C)Cc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C21H24N4O/c1-17(26)23-20-10-6-9-19(13-20)14-24(2)16-21-22-11-12-25(21)15-18-7-4-3-5-8-18/h3-13H,14-16H2,1-2H3,(H,23,26)
InChIKeyFKQXJEHNKVMJMH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.52
Rot. Bonds7

About N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide

N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide (PubChem CID 71988778) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide
PubChem CID71988778
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(C)Cc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C21H24N4O/c1-17(26)23-20-10-6-9-19(13-20)14-24(2)16-21-22-11-12-25(21)15-18-7-4-3-5-8-18/h3-13H,14-16H2,1-2H3,(H,23,26)
InChIKeyFKQXJEHNKVMJMH-UHFFFAOYSA-N
XLogP3.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
2-[(1-benzylimidazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111817135
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
CID 78870193
3-[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]prop-2-enoic acid
CID 76985350
N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine
CID 71988775

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide (CID 71988778) is N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN(C)Cc2nccn2Cc2ccccc2)c1.
What is the InChIKey of N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide?
The InChIKey is FKQXJEHNKVMJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-17(26)23-20-10-6-9-19(13-20)14-24(2)16-21-22-11-12-25(21)15-18-7-4-3-5-8-18/h3-13H,14-16H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide?
N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 71988778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).