3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

C19H19N3O2 — CID 28568439

IUPAC3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2-n2ccnc2C)c1
InChIInChI=1S/C19H19N3O2/c1-14-20-10-11-22(14)18-9-4-3-6-16(18)13-21-19(23)15-7-5-8-17(12-15)24-2/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyUBRBGEASPJTGBQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds5

About 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (PubChem CID 28568439) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
PubChem CID28568439
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2-n2ccnc2C)c1
InChIInChI=1S/C19H19N3O2/c1-14-20-10-11-22(14)18-9-4-3-6-16(18)13-21-19(23)15-7-5-8-17(12-15)24-2/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyUBRBGEASPJTGBQ-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 94800208
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
CID 100636951
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 43910024
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 92675979
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255
4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 92675796
3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564970

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (CID 28568439) is 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is COc1cccc(C(=O)NCc2ccccc2-n2ccnc2C)c1.
What is the InChIKey of 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is UBRBGEASPJTGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-20-10-11-22(14)18-9-4-3-6-16(18)13-21-19(23)15-7-5-8-17(12-15)24-2/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 28568439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).