4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide

C26H20FN5O2S — CID 53082300

IUPAC4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccccc3F)cc2)cc1
InChIInChI=1S/C26H20FN5O2S/c27-23-4-2-1-3-20(23)16-30-25(34)19-7-11-22(12-8-19)32-14-13-29-26(32)35-17-24(33)31-21-9-5-18(15-28)6-10-21/h1-14H,16-17H2,(H,30,34)(H,31,33)
InChIKeyMVOLGJMXQPOPAL-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.54
Rot. Bonds8

About 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide

4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 53082300) has the molecular formula C26H20FN5O2S and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID53082300
Molecular FormulaC26H20FN5O2S
Molecular Weight485.54 g/mol
Exact Mass485.13
IUPAC Name4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccccc3F)cc2)cc1
InChIInChI=1S/C26H20FN5O2S/c27-23-4-2-1-3-20(23)16-30-25(34)19-7-11-22(12-8-19)32-14-13-29-26(32)35-17-24(33)31-21-9-5-18(15-28)6-10-21/h1-14H,16-17H2,(H,30,34)(H,31,33)
InChIKeyMVOLGJMXQPOPAL-UHFFFAOYSA-N
XLogP4.54
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide with MolForge

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Related Compounds

4-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53082302
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 53082382
4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 53082274
N-[(4-chlorophenyl)methyl]-4-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53043426
N-benzyl-4-[2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082227
4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109047977
N-benzyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082231
2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 5071095
4-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53082289
N-(furan-2-ylmethyl)-4-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082366
4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211244

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide (CID 53082300) is 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide is N#Cc1ccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccccc3F)cc2)cc1.
What is the InChIKey of 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is MVOLGJMXQPOPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2S/c27-23-4-2-1-3-20(23)16-30-25(34)19-7-11-22(12-8-19)32-14-13-29-26(32)35-17-24(33)31-21-9-5-18(15-28)6-10-21/h1-14H,16-17H2,(H,30,34)(H,31,33).
What are the key properties of 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide?
4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 485.54 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 53082300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).