2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide

C15H19F2N3OS — CID 33247965

IUPAC2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
SMILESCCCCCNC(=O)CSc1nc2ccccc2n1C(F)F
InChIInChI=1S/C15H19F2N3OS/c1-2-3-6-9-18-13(21)10-22-15-19-11-7-4-5-8-12(11)20(15)14(16)17/h4-5,7-8,14H,2-3,6,9-10H2,1H3,(H,18,21)
InChIKeyKJUPZARQJWUCSI-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.83
Rot. Bonds8

About 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide (PubChem CID 33247965) has the molecular formula C15H19F2N3OS and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
PubChem CID33247965
Molecular FormulaC15H19F2N3OS
Molecular Weight327.40 g/mol
Exact Mass327.12
IUPAC Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
SMILESCCCCCNC(=O)CSc1nc2ccccc2n1C(F)F
InChIInChI=1S/C15H19F2N3OS/c1-2-3-6-9-18-13(21)10-22-15-19-11-7-4-5-8-12(11)20(15)14(16)17/h4-5,7-8,14H,2-3,6,9-10H2,1H3,(H,18,21)
InChIKeyKJUPZARQJWUCSI-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]butanoate
CID 51280111
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide
CID 87019175
2-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 17419395
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51261747
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 33248390
N-(cyclopropylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 33247390
N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17405689
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
ethyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate
CID 51139099
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentylacetamide
CID 9491417

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide?
The IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide (CID 33247965) is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide?
The canonical SMILES for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide is CCCCCNC(=O)CSc1nc2ccccc2n1C(F)F.
What is the InChIKey of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide?
The InChIKey is KJUPZARQJWUCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3OS/c1-2-3-6-9-18-13(21)10-22-15-19-11-7-4-5-8-12(11)20(15)14(16)17/h4-5,7-8,14H,2-3,6,9-10H2,1H3,(H,18,21).
What are the key properties of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide?
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide has a molecular weight of 327.40 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide is sourced from PubChem (CID 33247965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).