N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide

C18H13N5O4 — CID 122285263

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H13N5O4/c1-11-3-4-12(14-10-22-8-2-7-19-18(22)21-14)9-13(11)20-17(24)15-5-6-16(27-15)23(25)26/h2-10H,1H3,(H,20,24)
InChIKeyGIXRZFODKAEINI-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.46
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 122285263) has the molecular formula C18H13N5O4 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID122285263
Molecular FormulaC18H13N5O4
Molecular Weight363.33 g/mol
Exact Mass363.10
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H13N5O4/c1-11-3-4-12(14-10-22-8-2-7-19-18(22)21-14)9-13(11)20-17(24)15-5-6-16(27-15)23(25)26/h2-10H,1H3,(H,20,24)
InChIKeyGIXRZFODKAEINI-UHFFFAOYSA-N
XLogP3.46
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide
CID 122285341
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 122285267
1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285278
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide
CID 122285268

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide (CID 122285263) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is GIXRZFODKAEINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O4/c1-11-3-4-12(14-10-22-8-2-7-19-18(22)21-14)9-13(11)20-17(24)15-5-6-16(27-15)23(25)26/h2-10H,1H3,(H,20,24).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 363.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 122285263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).