[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine

C13H13FN6 — CID 80900657

IUPAC[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESCc1cc2ncn(-c3nc(NN)ncc3F)c2cc1C
InChIInChI=1S/C13H13FN6/c1-7-3-10-11(4-8(7)2)20(6-17-10)12-9(14)5-16-13(18-12)19-15/h3-6H,15H2,1-2H3,(H,16,18,19)
InChIKeyYVKOONOWFXVLMO-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.86
Rot. Bonds2

About [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine

[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 80900657) has the molecular formula C13H13FN6 and a molecular weight of 272.29 g/mol. Its IUPAC name is [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID80900657
Molecular FormulaC13H13FN6
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESCc1cc2ncn(-c3nc(NN)ncc3F)c2cc1C
InChIInChI=1S/C13H13FN6/c1-7-3-10-11(4-8(7)2)20(6-17-10)12-9(14)5-16-13(18-12)19-15/h3-6H,15H2,1-2H3,(H,16,18,19)
InChIKeyYVKOONOWFXVLMO-UHFFFAOYSA-N
XLogP1.86
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine with MolForge

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

Launch Full Analysis

Related Compounds

[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80902137
[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80901964
[6-(5,6-dimethylbenzimidazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900481
1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole
CID 134862242
4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine
CID 80901487
6-(5,6-dimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 80647713
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
CID 112726059
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80899957
4-(5,6-dimethylbenzimidazol-1-yl)-3-fluorobenzonitrile
CID 43657383
[5-fluoro-4-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80902367

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine (CID 80900657) is [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine is Cc1cc2ncn(-c3nc(NN)ncc3F)c2cc1C.
What is the InChIKey of [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is YVKOONOWFXVLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6/c1-7-3-10-11(4-8(7)2)20(6-17-10)12-9(14)5-16-13(18-12)19-15/h3-6H,15H2,1-2H3,(H,16,18,19).
What are the key properties of [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 272.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80900657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).