4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide

C17H14F2N4O2S — CID 55532709

IUPAC4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide
SMILESCC(Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H14F2N4O2S/c1-8(16(25)21-10-4-2-9(3-5-10)15(20)24)26-17-22-13-6-11(18)12(19)7-14(13)23-17/h2-8H,1H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyVAWJUHVNVSSDSR-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.06
Rot. Bonds5

About 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide

4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide (PubChem CID 55532709) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide
PubChem CID55532709
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide
SMILESCC(Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H14F2N4O2S/c1-8(16(25)21-10-4-2-9(3-5-10)15(20)24)26-17-22-13-6-11(18)12(19)7-14(13)23-17/h2-8H,1H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyVAWJUHVNVSSDSR-UHFFFAOYSA-N
XLogP3.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 55546879
4-[[(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]amino]benzamide
CID 40720274
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7225818
(2S)-N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2617970
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7225718
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
N-(4-acetamidophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4817499
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)propanamide
CID 7756121
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide
CID 7756095
(2R)-N-(4-acetylphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanamide
CID 7624291
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
(2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 2618052

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide?
The IUPAC name of 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide (CID 55532709) is 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide is CC(Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide?
The InChIKey is VAWJUHVNVSSDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-8(16(25)21-10-4-2-9(3-5-10)15(20)24)26-17-22-13-6-11(18)12(19)7-14(13)23-17/h2-8H,1H3,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide?
4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide has a molecular weight of 376.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide is sourced from PubChem (CID 55532709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).