2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide

C14H18Br2N4O2 — CID 141240784

IUPAC2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide
SMILESCc1c(Br)cc(Br)c2nc(NCC(=O)NO)c(CC(C)C)n12
InChIInChI=1S/C14H18Br2N4O2/c1-7(2)4-11-13(17-6-12(21)19-22)18-14-10(16)5-9(15)8(3)20(11)14/h5,7,17,22H,4,6H2,1-3H3,(H,19,21)
InChIKeySHUITBBWNRPMAO-UHFFFAOYSA-N
MW434.13 g/mol
LogP3.28
Rot. Bonds5

About 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide

2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide (PubChem CID 141240784) has the molecular formula C14H18Br2N4O2 and a molecular weight of 434.13 g/mol. Its IUPAC name is 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide
PubChem CID141240784
Molecular FormulaC14H18Br2N4O2
Molecular Weight434.13 g/mol
Exact Mass431.98
IUPAC Name2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide
SMILESCc1c(Br)cc(Br)c2nc(NCC(=O)NO)c(CC(C)C)n12
InChIInChI=1S/C14H18Br2N4O2/c1-7(2)4-11-13(17-6-12(21)19-22)18-14-10(16)5-9(15)8(3)20(11)14/h5,7,17,22H,4,6H2,1-3H3,(H,19,21)
InChIKeySHUITBBWNRPMAO-UHFFFAOYSA-N
XLogP3.28
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.13
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide (CID 141240784) is 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide is Cc1c(Br)cc(Br)c2nc(NCC(=O)NO)c(CC(C)C)n12.
What is the InChIKey of 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide?
The InChIKey is SHUITBBWNRPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N4O2/c1-7(2)4-11-13(17-6-12(21)19-22)18-14-10(16)5-9(15)8(3)20(11)14/h5,7,17,22H,4,6H2,1-3H3,(H,19,21).
What are the key properties of 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide?
2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide has a molecular weight of 434.13 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,8-dibromo-5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 141240784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).