N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

C19H18FN3OS — CID 7150999

IUPACN-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C19H18FN3OS/c20-17-8-6-16(7-9-17)13-23-11-10-21-19(23)25-14-18(24)22-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,24)
InChIKeyXTQKPOHNRQFAGT-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.48
Rot. Bonds7

About N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7150999) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7150999
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C19H18FN3OS/c20-17-8-6-16(7-9-17)13-23-11-10-21-19(23)25-14-18(24)22-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,24)
InChIKeyXTQKPOHNRQFAGT-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7150999) is N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1Cc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is XTQKPOHNRQFAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-17-8-6-16(7-9-17)13-23-11-10-21-19(23)25-14-18(24)22-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,24).
What are the key properties of N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 355.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).