1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine

C14H14N6 — CID 131997869

IUPAC1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1C)c1ncccn1
InChIInChI=1S/C14H14N6/c1-10(13-15-8-5-9-16-13)18-19-14-17-11-6-3-4-7-12(11)20(14)2/h3-9H,1-2H3,(H,17,19)/b18-10+
InChIKeyWKCUDMVIYHTGCZ-VCHYOVAHSA-N
MW266.31 g/mol
LogP2.20
Rot. Bonds3

About 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine

1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine (PubChem CID 131997869) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine
PubChem CID131997869
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1C)c1ncccn1
InChIInChI=1S/C14H14N6/c1-10(13-15-8-5-9-16-13)18-19-14-17-11-6-3-4-7-12(11)20(14)2/h3-9H,1-2H3,(H,17,19)/b18-10+
InChIKeyWKCUDMVIYHTGCZ-VCHYOVAHSA-N
XLogP2.20
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.20
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-methyl-N-[(E)-1-pyrimidin-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-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine (CID 131997869) is 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine is C/C(=N\Nc1nc2ccccc2n1C)c1ncccn1.
What is the InChIKey of 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine?
The InChIKey is WKCUDMVIYHTGCZ-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H14N6/c1-10(13-15-8-5-9-16-13)18-19-14-17-11-6-3-4-7-12(11)20(14)2/h3-9H,1-2H3,(H,17,19)/b18-10+.
What are the key properties of 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine?
1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine has a molecular weight of 266.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 131997869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).