3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione

C15H18F2N2S — CID 106005890

IUPAC3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione
SMILESFc1cc(F)c2[nH]c(=S)n(CCCC3CCCC3)c2c1
InChIInChI=1S/C15H18F2N2S/c16-11-8-12(17)14-13(9-11)19(15(20)18-14)7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H,18,20)
InChIKeyCECJPAHENFDEAY-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.95
Rot. Bonds4

About 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione

3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione (PubChem CID 106005890) has the molecular formula C15H18F2N2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione
PubChem CID106005890
Molecular FormulaC15H18F2N2S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione
SMILESFc1cc(F)c2[nH]c(=S)n(CCCC3CCCC3)c2c1
InChIInChI=1S/C15H18F2N2S/c16-11-8-12(17)14-13(9-11)19(15(20)18-14)7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H,18,20)
InChIKeyCECJPAHENFDEAY-UHFFFAOYSA-N
XLogP4.95
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxypropyl)-5,7-difluoro-1H-benzimidazole-2-thione
CID 113325556
5-bromo-3-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazole-2-thione
CID 116737934
5,7-difluoro-3-[(1-methylcyclopropyl)methyl]-1H-benzimidazole-2-thione
CID 114101026
3-(2-cyclohexylethyl)-5-fluoro-1H-benzimidazole-2-thione
CID 63545469
methyl 3-(4,6-difluoro-2-sulfanylidene-3H-benzimidazol-1-yl)propanoate
CID 115508213
5,7-difluoro-3-(2-prop-2-enylsulfanylethyl)-1H-benzimidazole-2-thione
CID 106431371
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5,7-difluoro-1H-benzimidazole-2-thione
CID 115508275
5,7-difluoro-3-[(3-fluorophenyl)methyl]-1H-benzimidazole-2-thione
CID 115508093
5,7-difluoro-3-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole-2-thione
CID 115508329
5,7-difluoro-3-(1,2-oxazol-5-ylmethyl)-1H-benzimidazole-2-thione
CID 106419518
3-[(3-ethylthiophen-2-yl)methyl]-5,7-difluoro-1H-benzimidazole-2-thione
CID 115508474
5,7-difluoro-3-(1,2-oxazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 113325591

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione?
The IUPAC name of 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione (CID 106005890) is 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione?
The canonical SMILES for 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione is Fc1cc(F)c2[nH]c(=S)n(CCCC3CCCC3)c2c1.
What is the InChIKey of 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione?
The InChIKey is CECJPAHENFDEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2S/c16-11-8-12(17)14-13(9-11)19(15(20)18-14)7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H,18,20).
What are the key properties of 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione?
3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione has a molecular weight of 296.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropyl)-5,7-difluoro-1H-benzimidazole-2-thione is sourced from PubChem (CID 106005890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).