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

C19H19N3O2 — CID 51259902

IUPAC3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C19H19N3O2/c1-22-12-11-20-18(22)17(14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(13-15)24-2/h3-13,17H,1-2H3,(H,21,23)
InChIKeyXFFQVEHFPWYBRI-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.95
Rot. Bonds5

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

3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 51259902) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID51259902
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C19H19N3O2/c1-22-12-11-20-18(22)17(14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(13-15)24-2/h3-13,17H,1-2H3,(H,21,23)
InChIKeyXFFQVEHFPWYBRI-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
CID 25390282
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014722
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide
CID 46971613
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 31505088
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
CID 51273493
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 51259902) is 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is COc1cccc(C(=O)NC(c2ccccc2)c2nccn2C)c1.
What is the InChIKey of 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is XFFQVEHFPWYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-12-11-20-18(22)17(14-7-4-3-5-8-14)21-19(23)15-9-6-10-16(13-15)24-2/h3-13,17H,1-2H3,(H,21,23).
What are the key properties of 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 51259902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).