N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide

C18H15N5O3 — CID 6020755

IUPACN-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide
SMILESCn1ccnc1/C(=N\NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H15N5O3/c1-22-11-10-19-17(22)16(14-8-5-9-15(12-14)23(25)26)20-21-18(24)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,24)/b20-16-
InChIKeyFEGDUMUXGXOVIC-SILNSSARSA-N
MW349.35 g/mol
LogP2.51
Rot. Bonds5

About N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide

N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide (PubChem CID 6020755) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide
PubChem CID6020755
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide
SMILESCn1ccnc1/C(=N\NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H15N5O3/c1-22-11-10-19-17(22)16(14-8-5-9-15(12-14)23(25)26)20-21-18(24)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,24)/b20-16-
InChIKeyFEGDUMUXGXOVIC-SILNSSARSA-N
XLogP2.51
TPSA102.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide?
The IUPAC name of N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide (CID 6020755) is N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide.
What is the SMILES notation for N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide?
The canonical SMILES for N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide is Cn1ccnc1/C(=N\NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide?
The InChIKey is FEGDUMUXGXOVIC-SILNSSARSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-22-11-10-19-17(22)16(14-8-5-9-15(12-14)23(25)26)20-21-18(24)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,24)/b20-16-.
What are the key properties of N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide?
N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide has a molecular weight of 349.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1-methylimidazol-2-yl)-(3-nitrophenyl)methylidene]amino]benzamide is sourced from PubChem (CID 6020755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).