N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline

C21H16N6 — CID 135921051

IUPACN-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline
SMILESc1ccc(NN=C(c2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16N6/c1-2-8-14(9-3-1)26-27-19(20-22-15-10-4-5-11-16(15)23-20)21-24-17-12-6-7-13-18(17)25-21/h1-13,26H,(H,22,23)(H,24,25)
InChIKeyFSWDWDIZOZTGPQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.30
Rot. Bonds4

About N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline

N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline (PubChem CID 135921051) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline
PubChem CID135921051
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC NameN-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline
SMILESc1ccc(NN=C(c2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16N6/c1-2-8-14(9-3-1)26-27-19(20-22-15-10-4-5-11-16(15)23-20)21-24-17-12-6-7-13-18(17)25-21/h1-13,26H,(H,22,23)(H,24,25)
InChIKeyFSWDWDIZOZTGPQ-UHFFFAOYSA-N
XLogP4.30
TPSA81.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.30
H-Bond Donors ≤ 53
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-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline?
The IUPAC name of N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline (CID 135921051) is N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline.
What is the SMILES notation for N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline?
The canonical SMILES for N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline is c1ccc(NN=C(c2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline?
The InChIKey is FSWDWDIZOZTGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-2-8-14(9-3-1)26-27-19(20-22-15-10-4-5-11-16(15)23-20)21-24-17-12-6-7-13-18(17)25-21/h1-13,26H,(H,22,23)(H,24,25).
What are the key properties of N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline?
N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline has a molecular weight of 352.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(1H-benzimidazol-2-yl)methylideneamino]aniline is sourced from PubChem (CID 135921051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).