2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide

C20H24FN3OS — CID 145486423

IUPAC2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide
SMILESC=C(C)c1ccc(F)cc1.CCSc1nc2ccccc2[nH]1.CNC=O
InChIInChI=1S/C9H9F.C9H10N2S.C2H5NO/c1-7(2)8-3-5-9(10)6-4-8;1-2-12-9-10-7-5-3-4-6-8(7)11-9;1-3-2-4/h3-6H,1H2,2H3;3-6H,2H2,1H3,(H,10,11);2H,1H3,(H,3,4)
InChIKeyCHYFHSFYDCBISK-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.90
Rot. Bonds4

About 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide

2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide (PubChem CID 145486423) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide.

Molecular Properties

Compound Name2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide
PubChem CID145486423
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide
SMILESC=C(C)c1ccc(F)cc1.CCSc1nc2ccccc2[nH]1.CNC=O
InChIInChI=1S/C9H9F.C9H10N2S.C2H5NO/c1-7(2)8-3-5-9(10)6-4-8;1-2-12-9-10-7-5-3-4-6-8(7)11-9;1-3-2-4/h3-6H,1H2,2H3;3-6H,2H2,1H3,(H,10,11);2H,1H3,(H,3,4)
InChIKeyCHYFHSFYDCBISK-UHFFFAOYSA-N
XLogP4.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide
CID 5187301
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 62582637
7-(1H-benzimidazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridinyl]heptanamide
CID 22592154
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64621295
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide
CID 22633522
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
CID 43218350
4-(1H-benzimidazol-2-ylsulfanyl)-2-methylbutan-2-ol
CID 79175690
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-4-methylpentan-1-amine
CID 62583736
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037855

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide?
The IUPAC name of 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide (CID 145486423) is 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide.
What is the SMILES notation for 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide?
The canonical SMILES for 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide is C=C(C)c1ccc(F)cc1.CCSc1nc2ccccc2[nH]1.CNC=O.
What is the InChIKey of 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide?
The InChIKey is CHYFHSFYDCBISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F.C9H10N2S.C2H5NO/c1-7(2)8-3-5-9(10)6-4-8;1-2-12-9-10-7-5-3-4-6-8(7)11-9;1-3-2-4/h3-6H,1H2,2H3;3-6H,2H2,1H3,(H,10,11);2H,1H3,(H,3,4).
What are the key properties of 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide?
2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide has a molecular weight of 373.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide is sourced from PubChem (CID 145486423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).