1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine

C18H22N6 — CID 122463279

IUPAC1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1CCN(C)C)c1ccccn1
InChIInChI=1S/C18H22N6/c1-14(15-8-6-7-11-19-15)21-22-18-20-16-9-4-5-10-17(16)24(18)13-12-23(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)/b21-14+
InChIKeyMXPLXZMPBXRBND-KGENOOAVSA-N
MW322.42 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine

1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine (PubChem CID 122463279) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
PubChem CID122463279
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1CCN(C)C)c1ccccn1
InChIInChI=1S/C18H22N6/c1-14(15-8-6-7-11-19-15)21-22-18-20-16-9-4-5-10-17(16)24(18)13-12-23(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)/b21-14+
InChIKeyMXPLXZMPBXRBND-KGENOOAVSA-N
XLogP2.83
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine (CID 122463279) is 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine is C/C(=N\Nc1nc2ccccc2n1CCN(C)C)c1ccccn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The InChIKey is MXPLXZMPBXRBND-KGENOOAVSA-N. The full InChI is InChI=1S/C18H22N6/c1-14(15-8-6-7-11-19-15)21-22-18-20-16-9-4-5-10-17(16)24(18)13-12-23(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)/b21-14+.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine has a molecular weight of 322.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 122463279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).