3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide

C13H15N3O3 — CID 79673655

IUPAC3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1O
InChIInChI=1S/C13H15N3O3/c1-16(8-12-14-5-6-15-12)13(18)9-3-4-11(19-2)10(17)7-9/h3-7,17H,8H2,1-2H3,(H,14,15)
InChIKeyQHAMVSCHJYDEFJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.40
Rot. Bonds4

About 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide

3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide (PubChem CID 79673655) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide
PubChem CID79673655
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1O
InChIInChI=1S/C13H15N3O3/c1-16(8-12-14-5-6-15-12)13(18)9-3-4-11(19-2)10(17)7-9/h3-7,17H,8H2,1-2H3,(H,14,15)
InChIKeyQHAMVSCHJYDEFJ-UHFFFAOYSA-N
XLogP1.40
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide (CID 79673655) is 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1O.
What is the InChIKey of 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide?
The InChIKey is QHAMVSCHJYDEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16(8-12-14-5-6-15-12)13(18)9-3-4-11(19-2)10(17)7-9/h3-7,17H,8H2,1-2H3,(H,14,15).
What are the key properties of 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide?
3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide has a molecular weight of 261.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 79673655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).