N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

C11H12N4O4 — CID 1080102

IUPACN-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccco1
InChIInChI=1S/C11H12N4O4/c1-8-12-6-11(15(17)18)14(8)7-10(16)13-5-9-3-2-4-19-9/h2-4,6H,5,7H2,1H3,(H,13,16)
InChIKeyWPXBGNCXMDBCOT-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.01
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (PubChem CID 1080102) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
PubChem CID1080102
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccco1
InChIInChI=1S/C11H12N4O4/c1-8-12-6-11(15(17)18)14(8)7-10(16)13-5-9-3-2-4-19-9/h2-4,6H,5,7H2,1H3,(H,13,16)
InChIKeyWPXBGNCXMDBCOT-UHFFFAOYSA-N
XLogP1.01
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (CID 1080102) is N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The InChIKey is WPXBGNCXMDBCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-8-12-6-11(15(17)18)14(8)7-10(16)13-5-9-3-2-4-19-9/h2-4,6H,5,7H2,1H3,(H,13,16).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide has a molecular weight of 264.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 1080102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).