6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione

C14H18FN3OS — CID 43660935

IUPAC6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione
SMILESFc1ccc2c(c1)[nH]c(=S)n2CCCN1CCOCC1
InChIInChI=1S/C14H18FN3OS/c15-11-2-3-13-12(10-11)16-14(20)18(13)5-1-4-17-6-8-19-9-7-17/h2-3,10H,1,4-9H2,(H,16,20)
InChIKeyGZDMUDGVMRTGMI-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.56
Rot. Bonds4

About 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione

6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione (PubChem CID 43660935) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione
PubChem CID43660935
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione
SMILESFc1ccc2c(c1)[nH]c(=S)n2CCCN1CCOCC1
InChIInChI=1S/C14H18FN3OS/c15-11-2-3-13-12(10-11)16-14(20)18(13)5-1-4-17-6-8-19-9-7-17/h2-3,10H,1,4-9H2,(H,16,20)
InChIKeyGZDMUDGVMRTGMI-UHFFFAOYSA-N
XLogP2.56
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione (CID 43660935) is 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione is Fc1ccc2c(c1)[nH]c(=S)n2CCCN1CCOCC1.
What is the InChIKey of 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione?
The InChIKey is GZDMUDGVMRTGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c15-11-2-3-13-12(10-11)16-14(20)18(13)5-1-4-17-6-8-19-9-7-17/h2-3,10H,1,4-9H2,(H,16,20).
What are the key properties of 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione?
6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione has a molecular weight of 295.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 43660935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).