4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide

C21H21N5O2 — CID 24944928

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
SMILESCC(C)(CO)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C21H21N5O2/c1-21(2,13-27)16-5-3-15(4-6-16)20(28)24-18-12-26-11-17(7-8-19(26)23-18)25-10-9-22-14-25/h3-12,14,27H,13H2,1-2H3,(H,24,28)
InChIKeyTWTWHRSEPRILHV-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.04
Rot. Bonds5

About 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide

4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide (PubChem CID 24944928) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
PubChem CID24944928
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
SMILESCC(C)(CO)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C21H21N5O2/c1-21(2,13-27)16-5-3-15(4-6-16)20(28)24-18-12-26-11-17(7-8-19(26)23-18)25-10-9-22-14-25/h3-12,14,27H,13H2,1-2H3,(H,24,28)
InChIKeyTWTWHRSEPRILHV-UHFFFAOYSA-N
XLogP3.04
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide (CID 24944928) is 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide is CC(C)(CO)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?
The InChIKey is TWTWHRSEPRILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-21(2,13-27)16-5-3-15(4-6-16)20(28)24-18-12-26-11-17(7-8-19(26)23-18)25-10-9-22-14-25/h3-12,14,27H,13H2,1-2H3,(H,24,28).
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?
4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide is sourced from PubChem (CID 24944928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).