N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine

C17H13N5 — CID 6036074

IUPACN-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
SMILESC(=N\Nc1nc2ccccc2[nH]1)\c1ccc2ncccc2c1
InChIInChI=1S/C17H13N5/c1-2-6-16-15(5-1)20-17(21-16)22-19-11-12-7-8-14-13(10-12)4-3-9-18-14/h1-11H,(H2,20,21,22)/b19-11-
InChIKeyJIGHIAFVRABHKK-ODLFYWEKSA-N
MW287.33 g/mol
LogP3.56
Rot. Bonds3

About N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine

N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 6036074) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
PubChem CID6036074
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC NameN-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
SMILESC(=N\Nc1nc2ccccc2[nH]1)\c1ccc2ncccc2c1
InChIInChI=1S/C17H13N5/c1-2-6-16-15(5-1)20-17(21-16)22-19-11-12-7-8-14-13(10-12)4-3-9-18-14/h1-11H,(H2,20,21,22)/b19-11-
InChIKeyJIGHIAFVRABHKK-ODLFYWEKSA-N
XLogP3.56
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.56
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-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine (CID 6036074) is N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine is C(=N\Nc1nc2ccccc2[nH]1)\c1ccc2ncccc2c1.
What is the InChIKey of N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is JIGHIAFVRABHKK-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H13N5/c1-2-6-16-15(5-1)20-17(21-16)22-19-11-12-7-8-14-13(10-12)4-3-9-18-14/h1-11H,(H2,20,21,22)/b19-11-.
What are the key properties of N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine?
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 6036074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).