N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide

C20H19N3OS — CID 87037186

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)NCC2Cc3ccccc32)c1
InChIInChI=1S/C20H19N3OS/c1-25-20-21-9-10-23(20)17-7-4-6-15(12-17)19(24)22-13-16-11-14-5-2-3-8-18(14)16/h2-10,12,16H,11,13H2,1H3,(H,22,24)
InChIKeySEROJMXZKLSLHX-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.66
Rot. Bonds5

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 87037186) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID87037186
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)NCC2Cc3ccccc32)c1
InChIInChI=1S/C20H19N3OS/c1-25-20-21-9-10-23(20)17-7-4-6-15(12-17)19(24)22-13-16-11-14-5-2-3-8-18(14)16/h2-10,12,16H,11,13H2,1H3,(H,22,24)
InChIKeySEROJMXZKLSLHX-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide with MolForge

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Related Compounds

3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
3-(2-methylsulfanylimidazol-1-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931176
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 109479308
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090584
N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 110895206
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 55771473
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-3-methylbenzamide
CID 115770192
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55765112

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 87037186) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1cccc(C(=O)NCC2Cc3ccccc32)c1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is SEROJMXZKLSLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-25-20-21-9-10-23(20)17-7-4-6-15(12-17)19(24)22-13-16-11-14-5-2-3-8-18(14)16/h2-10,12,16H,11,13H2,1H3,(H,22,24).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 349.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 87037186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).