[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine

C11H9ClN6S — CID 80930355

IUPAC[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H9ClN6S/c12-6-5-14-10(18-13)17-9(6)19-11-15-7-3-1-2-4-8(7)16-11/h1-5H,13H2,(H,15,16)(H,14,17,18)
InChIKeyFYKCADZTTKILDH-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.44
Rot. Bonds3

About [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine

[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine (PubChem CID 80930355) has the molecular formula C11H9ClN6S and a molecular weight of 292.76 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
PubChem CID80930355
Molecular FormulaC11H9ClN6S
Molecular Weight292.76 g/mol
Exact Mass292.03
IUPAC Name[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H9ClN6S/c12-6-5-14-10(18-13)17-9(6)19-11-15-7-3-1-2-4-8(7)16-11/h1-5H,13H2,(H,15,16)(H,14,17,18)
InChIKeyFYKCADZTTKILDH-UHFFFAOYSA-N
XLogP2.44
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
CID 80882654
4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80882219
[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920292
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80927318
4-(1H-benzimidazol-2-ylsulfanyl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80920631
4-(1H-benzimidazol-2-ylsulfanyl)-5-nitropyrimidin-2-amine
CID 4526105
2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 43260489
2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 63586553
[6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
CID 62887222
2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
CID 63731224

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine (CID 80930355) is [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine is NNc1ncc(Cl)c(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine?
The InChIKey is FYKCADZTTKILDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6S/c12-6-5-14-10(18-13)17-9(6)19-11-15-7-3-1-2-4-8(7)16-11/h1-5H,13H2,(H,15,16)(H,14,17,18).
What are the key properties of [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine?
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine has a molecular weight of 292.76 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80930355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).