2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide

C21H20N4O4 — CID 165421163

IUPAC2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1
InChIInChI=1S/C21H20N4O4/c22-21(28)15-6-1-2-7-18(15)29-11-19(27)25-9-16(13-4-3-5-14(26)8-13)20-17(10-25)23-12-24-20/h1-8,12,16,26H,9-11H2,(H2,22,28)(H,23,24)
InChIKeyHNCDMUFYYAFGJU-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.77
Rot. Bonds5

About 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide

2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide (PubChem CID 165421163) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide
PubChem CID165421163
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1
InChIInChI=1S/C21H20N4O4/c22-21(28)15-6-1-2-7-18(15)29-11-19(27)25-9-16(13-4-3-5-14(26)8-13)20-17(10-25)23-12-24-20/h1-8,12,16,26H,9-11H2,(H2,22,28)(H,23,24)
InChIKeyHNCDMUFYYAFGJU-UHFFFAOYSA-N
XLogP1.77
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide (CID 165421163) is 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1.
What is the InChIKey of 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide?
The InChIKey is HNCDMUFYYAFGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c22-21(28)15-6-1-2-7-18(15)29-11-19(27)25-9-16(13-4-3-5-14(26)8-13)20-17(10-25)23-12-24-20/h1-8,12,16,26H,9-11H2,(H2,22,28)(H,23,24).
What are the key properties of 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide?
2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide has a molecular weight of 392.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 165421163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).