3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide

C19H17F2N3OS — CID 18575390

IUPAC3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
SMILESCc1ccc(-c2cnc(SCCNC(=O)c3ccc(F)c(F)c3)[nH]2)cc1
InChIInChI=1S/C19H17F2N3OS/c1-12-2-4-13(5-3-12)17-11-23-19(24-17)26-9-8-22-18(25)14-6-7-15(20)16(21)10-14/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyXNNUUMWFJDZZCW-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.19
Rot. Bonds6

About 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide

3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide (PubChem CID 18575390) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
PubChem CID18575390
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
SMILESCc1ccc(-c2cnc(SCCNC(=O)c3ccc(F)c(F)c3)[nH]2)cc1
InChIInChI=1S/C19H17F2N3OS/c1-12-2-4-13(5-3-12)17-11-23-19(24-17)26-9-8-22-18(25)14-6-7-15(20)16(21)10-14/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyXNNUUMWFJDZZCW-UHFFFAOYSA-N
XLogP4.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575446
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
CID 18575464
3,4,5-triethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575448
N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide
CID 18575414
4-fluoro-3-methoxy-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzamide
CID 131929584
N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
CID 18575497
N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide
CID 18575488
N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
CID 18575519
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-methylbenzamide
CID 3273706
4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol
CID 166188173
3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46466206
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 860011

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide (CID 18575390) is 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide is Cc1ccc(-c2cnc(SCCNC(=O)c3ccc(F)c(F)c3)[nH]2)cc1.
What is the InChIKey of 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The InChIKey is XNNUUMWFJDZZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c1-12-2-4-13(5-3-12)17-11-23-19(24-17)26-9-8-22-18(25)14-6-7-15(20)16(21)10-14/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide is sourced from PubChem (CID 18575390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).