2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide

C16H14N4O3 — CID 25106717

IUPAC2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide
SMILESO=C(NCc1ncc(-c2ccncc2)[nH]1)c1ccc(O)cc1O
InChIInChI=1S/C16H14N4O3/c21-11-1-2-12(14(22)7-11)16(23)19-9-15-18-8-13(20-15)10-3-5-17-6-4-10/h1-8,21-22H,9H2,(H,18,20)(H,19,23)
InChIKeyYNINPPLIWMRWND-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.81
Rot. Bonds4

About 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide

2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide (PubChem CID 25106717) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide
PubChem CID25106717
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide
SMILESO=C(NCc1ncc(-c2ccncc2)[nH]1)c1ccc(O)cc1O
InChIInChI=1S/C16H14N4O3/c21-11-1-2-12(14(22)7-11)16(23)19-9-15-18-8-13(20-15)10-3-5-17-6-4-10/h1-8,21-22H,9H2,(H,18,20)(H,19,23)
InChIKeyYNINPPLIWMRWND-UHFFFAOYSA-N
XLogP1.81
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide (CID 25106717) is 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide is O=C(NCc1ncc(-c2ccncc2)[nH]1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide?
The InChIKey is YNINPPLIWMRWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-11-1-2-12(14(22)7-11)16(23)19-9-15-18-8-13(20-15)10-3-5-17-6-4-10/h1-8,21-22H,9H2,(H,18,20)(H,19,23).
What are the key properties of 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide?
2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide has a molecular weight of 310.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(5-pyridin-4-yl-1H-imidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 25106717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).