N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine

C13H11N5 — CID 5347090

IUPACN-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
SMILESC(=N/Nc1nc2ccccc2[nH]1)\c1ccccn1
InChIInChI=1S/C13H11N5/c1-2-7-12-11(6-1)16-13(17-12)18-15-9-10-5-3-4-8-14-10/h1-9H,(H2,16,17,18)/b15-9+
InChIKeyBSBMFOXNMBUEKA-OQLLNIDSSA-N
MW237.27 g/mol
LogP2.40
Rot. Bonds3

About N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine

N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 5347090) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
PubChem CID5347090
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC NameN-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
SMILESC(=N/Nc1nc2ccccc2[nH]1)\c1ccccn1
InChIInChI=1S/C13H11N5/c1-2-7-12-11(6-1)16-13(17-12)18-15-9-10-5-3-4-8-14-10/h1-9H,(H2,16,17,18)/b15-9+
InChIKeyBSBMFOXNMBUEKA-OQLLNIDSSA-N
XLogP2.40
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
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)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine (CID 5347090) is N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine is C(=N/Nc1nc2ccccc2[nH]1)\c1ccccn1.
What is the InChIKey of N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is BSBMFOXNMBUEKA-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-7-12-11(6-1)16-13(17-12)18-15-9-10-5-3-4-8-14-10/h1-9H,(H2,16,17,18)/b15-9+.
What are the key properties of N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 237.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 5347090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).