N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline

C16H16N4 — CID 134100687

IUPACN-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline
SMILESC/C(=N\Nc1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C16H16N4/c1-12(18-19-13-8-4-3-5-9-13)16-17-14-10-6-7-11-15(14)20(16)2/h3-11,19H,1-2H3/b18-12+
InChIKeyYPADWCFSVZKZJM-LDADJPATSA-N
MW264.33 g/mol
LogP3.41
Rot. Bonds3

About N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline

N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline (PubChem CID 134100687) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline
PubChem CID134100687
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline
SMILESC/C(=N\Nc1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C16H16N4/c1-12(18-19-13-8-4-3-5-9-13)16-17-14-10-6-7-11-15(14)20(16)2/h3-11,19H,1-2H3/b18-12+
InChIKeyYPADWCFSVZKZJM-LDADJPATSA-N
XLogP3.41
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.41
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-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline?
The IUPAC name of N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline (CID 134100687) is N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline.
What is the SMILES notation for N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline?
The canonical SMILES for N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline is C/C(=N\Nc1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline?
The InChIKey is YPADWCFSVZKZJM-LDADJPATSA-N. The full InChI is InChI=1S/C16H16N4/c1-12(18-19-13-8-4-3-5-9-13)16-17-14-10-6-7-11-15(14)20(16)2/h3-11,19H,1-2H3/b18-12+.
What are the key properties of N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline?
N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline has a molecular weight of 264.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline is sourced from PubChem (CID 134100687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).