N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide

C21H23N3O2 — CID 131901666

IUPACN-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
SMILESCOc1cccc(C)c1C(=O)N(C)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16-8-7-11-18(26-3)20(16)21(25)23(2)15-19-22-12-13-24(19)14-17-9-5-4-6-10-17/h4-13H,14-15H2,1-3H3
InChIKeyZTWNJVLTRGNOSS-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.52
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide

N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide (PubChem CID 131901666) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
PubChem CID131901666
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
SMILESCOc1cccc(C)c1C(=O)N(C)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16-8-7-11-18(26-3)20(16)21(25)23(2)15-19-22-12-13-24(19)14-17-9-5-4-6-10-17/h4-13H,14-15H2,1-3H3
InChIKeyZTWNJVLTRGNOSS-UHFFFAOYSA-N
XLogP3.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172657218
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
2-methoxy-N,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 131946527
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 90651517
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72938444
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 86927857
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide (CID 131901666) is N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide is COc1cccc(C)c1C(=O)N(C)Cc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide?
The InChIKey is ZTWNJVLTRGNOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-8-7-11-18(26-3)20(16)21(25)23(2)15-19-22-12-13-24(19)14-17-9-5-4-6-10-17/h4-13H,14-15H2,1-3H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide?
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide is sourced from PubChem (CID 131901666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).