2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide

C13H16N4O2 — CID 81420117

IUPAC2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCc1nccn1C
InChIInChI=1S/C13H16N4O2/c1-17-7-6-15-11(17)8-16-13(18)12-9(14)4-3-5-10(12)19-2/h3-7H,8,14H2,1-2H3,(H,16,18)
InChIKeyCIJYAMHRQJJELL-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.94
Rot. Bonds4

About 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide

2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 81420117) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID81420117
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCc1nccn1C
InChIInChI=1S/C13H16N4O2/c1-17-7-6-15-11(17)8-16-13(18)12-9(14)4-3-5-10(12)19-2/h3-7H,8,14H2,1-2H3,(H,16,18)
InChIKeyCIJYAMHRQJJELL-UHFFFAOYSA-N
XLogP0.94
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 81394679
2-amino-6-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 81394680
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142
2-amino-6-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 81421054
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 81420117) is 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide is COc1cccc(N)c1C(=O)NCc1nccn1C.
What is the InChIKey of 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is CIJYAMHRQJJELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-7-6-15-11(17)8-16-13(18)12-9(14)4-3-5-10(12)19-2/h3-7H,8,14H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide?
2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 81420117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).