4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide

C19H21N3O2 — CID 59175370

IUPAC4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3c(CO)cccc3n2)cc1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-16-11-22-15(12-23)5-4-6-17(22)20-16/h4-11,23H,12H2,1-3H3,(H,21,24)
InChIKeySXVCKVPBZBTRCM-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.38
Rot. Bonds3

About 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide

4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59175370) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID59175370
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3c(CO)cccc3n2)cc1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-16-11-22-15(12-23)5-4-6-17(22)20-16/h4-11,23H,12H2,1-3H3,(H,21,24)
InChIKeySXVCKVPBZBTRCM-UHFFFAOYSA-N
XLogP3.38
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(5-methylimidazo[1,2-a]pyridin-2-yl)benzamide;hydrochloride
CID 68661288
4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 67064340
4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 59175252
4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 59175265
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
CID 102532473
4-tert-butyl-N-[6-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 59175271
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532470
4-tert-butyl-N-(6-piperidin-4-yloxyimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175565
4-tert-butyl-N-[6-(4-phenylimidazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 162323926
4-(dimethylamino)-N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532472
N-[6-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343745

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide (CID 59175370) is 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cn3c(CO)cccc3n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is SXVCKVPBZBTRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-16-11-22-15(12-23)5-4-6-17(22)20-16/h4-11,23H,12H2,1-3H3,(H,21,24).
What are the key properties of 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide?
4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59175370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).