N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide

C16H21N3O2S — CID 109479308

IUPACN-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCCC(CCO)NC(=O)c1cccc(-n2ccnc2SC)c1
InChIInChI=1S/C16H21N3O2S/c1-3-13(7-10-20)18-15(21)12-5-4-6-14(11-12)19-9-8-17-16(19)22-2/h4-6,8-9,11,13,20H,3,7,10H2,1-2H3,(H,18,21)
InChIKeyXHWOJCYKRCHPCY-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.48
Rot. Bonds7

About N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 109479308) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID109479308
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCCC(CCO)NC(=O)c1cccc(-n2ccnc2SC)c1
InChIInChI=1S/C16H21N3O2S/c1-3-13(7-10-20)18-15(21)12-5-4-6-14(11-12)19-9-8-17-16(19)22-2/h4-6,8-9,11,13,20H,3,7,10H2,1-2H3,(H,18,21)
InChIKeyXHWOJCYKRCHPCY-UHFFFAOYSA-N
XLogP2.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 110895206
methyl 3-(4-bromophenyl)-3-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]propanoate
CID 55775591
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
(2R)-2-cyano-3-[3-(2-methylsulfanylimidazol-1-yl)phenyl]-3-oxo-N-propan-2-ylpropanamide
CID 98450390
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 87037186
3-(2-methylsulfanylimidazol-1-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931176
2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 55771473
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774099

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 109479308) is N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide is CCC(CCO)NC(=O)c1cccc(-n2ccnc2SC)c1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is XHWOJCYKRCHPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-13(7-10-20)18-15(21)12-5-4-6-14(11-12)19-9-8-17-16(19)22-2/h4-6,8-9,11,13,20H,3,7,10H2,1-2H3,(H,18,21).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 319.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 109479308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).