N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide

C15H11BrN4O3 — CID 55975866

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11BrN4O3/c16-10-5-6-14-18-11(9-19(14)8-10)7-17-15(21)12-3-1-2-4-13(12)20(22)23/h1-6,8-9H,7H2,(H,17,21)
InChIKeyVHOCDQPRFMJUGP-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.93
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide (PubChem CID 55975866) has the molecular formula C15H11BrN4O3 and a molecular weight of 375.18 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
PubChem CID55975866
Molecular FormulaC15H11BrN4O3
Molecular Weight375.18 g/mol
Exact Mass374.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11BrN4O3/c16-10-5-6-14-18-11(9-19(14)8-10)7-17-15(21)12-3-1-2-4-13(12)20(22)23/h1-6,8-9H,7H2,(H,17,21)
InChIKeyVHOCDQPRFMJUGP-UHFFFAOYSA-N
XLogP2.93
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55976892
N-[(4-bromophenyl)methyl]-2-nitrobenzamide
CID 60582772
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitrobenzamide
CID 25429006
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 55976894
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide
CID 55975736
6-bromo-2-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56555408
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55977297
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
N-(1,3-benzothiazol-2-ylmethyl)-2-nitrobenzamide
CID 18110615
(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 94195880
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47067642
2-nitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352192

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide (CID 55975866) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide is O=C(NCc1cn2cc(Br)ccc2n1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide?
The InChIKey is VHOCDQPRFMJUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O3/c16-10-5-6-14-18-11(9-19(14)8-10)7-17-15(21)12-3-1-2-4-13(12)20(22)23/h1-6,8-9H,7H2,(H,17,21).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide has a molecular weight of 375.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 55975866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).