4-imidazol-1-yl-2-methoxybenzamide

C11H11N3O2 — CID 59564308

IUPAC4-imidazol-1-yl-2-methoxybenzamide
SMILESCOc1cc(-n2ccnc2)ccc1C(N)=O
InChIInChI=1S/C11H11N3O2/c1-16-10-6-8(14-5-4-13-7-14)2-3-9(10)11(12)15/h2-7H,1H3,(H2,12,15)
InChIKeyCBCKNJGCWYSQRU-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.98
Rot. Bonds3

About 4-imidazol-1-yl-2-methoxybenzamide

4-imidazol-1-yl-2-methoxybenzamide (PubChem CID 59564308) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methoxybenzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methoxybenzamide
PubChem CID59564308
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-imidazol-1-yl-2-methoxybenzamide
SMILESCOc1cc(-n2ccnc2)ccc1C(N)=O
InChIInChI=1S/C11H11N3O2/c1-16-10-6-8(14-5-4-13-7-14)2-3-9(10)11(12)15/h2-7H,1H3,(H2,12,15)
InChIKeyCBCKNJGCWYSQRU-UHFFFAOYSA-N
XLogP0.98
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methoxybenzamide?
The IUPAC name of 4-imidazol-1-yl-2-methoxybenzamide (CID 59564308) is 4-imidazol-1-yl-2-methoxybenzamide.
What is the SMILES notation for 4-imidazol-1-yl-2-methoxybenzamide?
The canonical SMILES for 4-imidazol-1-yl-2-methoxybenzamide is COc1cc(-n2ccnc2)ccc1C(N)=O.
What is the InChIKey of 4-imidazol-1-yl-2-methoxybenzamide?
The InChIKey is CBCKNJGCWYSQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-6-8(14-5-4-13-7-14)2-3-9(10)11(12)15/h2-7H,1H3,(H2,12,15).
What are the key properties of 4-imidazol-1-yl-2-methoxybenzamide?
4-imidazol-1-yl-2-methoxybenzamide has a molecular weight of 217.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methoxybenzamide is sourced from PubChem (CID 59564308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).