5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine

C113H116F2N40O2S2 — CID 172950372

About 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine

5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine (PubChem CID 172950372) has the molecular formula C113H116F2N40O2S2 and a molecular weight of 2168.58 g/mol. Its IUPAC name is 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine
• PubChem CID: 172950372
• Molecular Formula: C113H116F2N40O2S2
• Molecular Weight: 2168.58 g/mol
• Exact Mass: 2166.96
• IUPAC Name: 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine
• SMILES: C/C(=N\Nc1nc2cc(F)c(C)cc2n1C)c1ccccn1.C/C(=N\Nc1nc2cc(F)c(C)cc2n1C)c1ncccn1.C/C(=N\Nc1nc2ccccc2n1C)c1ccc[nH]1.C/C(=N\Nc1nc2ccccc2n1C)c1ccco1.C/C(=N\Nc1nc2ccccc2n1C)c1cccs1.C/C(=N\Nc1nc2ccccc2n1C)c1nccn1C.C/C(=N\Nc1nc2ccccc2n1C)c1ncco1.C/C(=N\Nc1nc2ccccc2n1C)c1nccs1
• InChI: InChI=1S/C16H16FN5.C15H15FN6.C14H16N6.C14H15N5.C14H14N4O.C14H14N4S.C13H13N5O.C13H13N5S/c1-10-8-15-14(9-12(10)17)19-16(22(15)3)21-20-11(2)13-6-4-5-7-18-13;1-9-7-13-12(8-11(9)16)19-15(22(13)3)21-20-10(2)14-17-5-4-6-18-14;1-10(13-15-8-9-19(13)2)17-18-14-16-11-6-4-5-7-12(11)20(14)3;1-10(11-7-5-9-15-11)17-18-14-16-12-6-3-4-8-13(12)19(14)2;2*1-10(13-8-5-9-19-13)16-17-14-15-11-6-3-4-7-12(11)18(14)2;2*1-9(12-14-7-8-19-12)16-17-13-15-10-5-3-4-6-11(10)18(13)2/h4-9H,1-3H3,(H,19,21);4-8H,1-3H3,(H,19,21);4-9H,1-3H3,(H,16,18);3-9,15H,1-2H3,(H,16,18);2*3-9H,1-2H3,(H,15,17);2*3-8H,1-2H3,(H,15,17)/b20-11+;20-10+;2*17-10+;2*16-10+;2*16-9+
• InChIKey: VCRGBOKOVBLETK-CUPCSDBASA-N
• XLogP: 22.52
• TPSA: 462.02 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.58
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine?

The IUPAC name of 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine (CID 172950372) is 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine.

What is the SMILES notation for 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine?

The canonical SMILES for 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine is C/C(=N\Nc1nc2cc(F)c(C)cc2n1C)c1ccccn1.C/C(=N\Nc1nc2cc(F)c(C)cc2n1C)c1ncccn1.C/C(=N\Nc1nc2ccccc2n1C)c1ccc[nH]1.C/C(=N\Nc1nc2ccccc2n1C)c1ccco1.C/C(=N\Nc1nc2ccccc2n1C)c1cccs1.C/C(=N\Nc1nc2ccccc2n1C)c1nccn1C.C/C(=N\Nc1nc2ccccc2n1C)c1ncco1.C/C(=N\Nc1nc2ccccc2n1C)c1nccs1.

What is the InChIKey of 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine?

The InChIKey is VCRGBOKOVBLETK-CUPCSDBASA-N. The full InChI is InChI=1S/C16H16FN5.C15H15FN6.C14H16N6.C14H15N5.C14H14N4O.C14H14N4S.C13H13N5O.C13H13N5S/c1-10-8-15-14(9-12(10)17)19-16(22(15)3)21-20-11(2)13-6-4-5-7-18-13;1-9-7-13-12(8-11(9)16)19-15(22(13)3)21-20-10(2)14-17-5-4-6-18-14;1-10(13-15-8-9-19(13)2)17-18-14-16-11-6-4-5-7-12(11)20(14)3;1-10(11-7-5-9-15-11)17-18-14-16-12-6-3-4-8-13(12)19(14)2;2*1-10(13-8-5-9-19-13)16-17-14-15-11-6-3-4-7-12(11)18(14)2;2*1-9(12-14-7-8-19-12)16-17-13-15-10-5-3-4-6-11(10)18(13)2/h4-9H,1-3H3,(H,19,21);4-8H,1-3H3,(H,19,21);4-9H,1-3H3,(H,16,18);3-9,15H,1-2H3,(H,16,18);2*3-9H,1-2H3,(H,15,17);2*3-8H,1-2H3,(H,15,17)/b20-11+;20-10+;2*17-10+;2*16-10+;2*16-9+.

What are the key properties of 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine?

5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine has a molecular weight of 2168.58 g/mol, XLogP of 22.52, 24 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 172950372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).