N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide

C16H14N4O — CID 5335201

IUPACN-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
SMILESCn1c(/C=N/NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H14N4O/c1-20-14-10-6-5-9-13(14)18-15(20)11-17-19-16(21)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,21)/b17-11+
InChIKeyOHPKQUIUYBYMAZ-GZTJUZNOSA-N
MW278.31 g/mol
LogP2.34
Rot. Bonds3

About N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide

N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide (PubChem CID 5335201) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
PubChem CID5335201
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
SMILESCn1c(/C=N/NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H14N4O/c1-20-14-10-6-5-9-13(14)18-15(20)11-17-19-16(21)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,21)/b17-11+
InChIKeyOHPKQUIUYBYMAZ-GZTJUZNOSA-N
XLogP2.34
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide (CID 5335201) is N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide is Cn1c(/C=N/NC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide?
The InChIKey is OHPKQUIUYBYMAZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20-14-10-6-5-9-13(14)18-15(20)11-17-19-16(21)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,21)/b17-11+.
What are the key properties of N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide?
N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylbenzimidazol-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5335201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).