N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide

C18H19N3O2S — CID 111452292

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccsc1
InChIInChI=1S/C18H19N3O2S/c1-18(23,16-6-9-24-11-16)12-20-17(22)15-4-2-14(3-5-15)10-21-8-7-19-13-21/h2-9,11,13,23H,10,12H2,1H3,(H,20,22)
InChIKeyYCBYNNHTIZSETR-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.63
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 111452292) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID111452292
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccsc1
InChIInChI=1S/C18H19N3O2S/c1-18(23,16-6-9-24-11-16)12-20-17(22)15-4-2-14(3-5-15)10-21-8-7-19-13-21/h2-9,11,13,23H,10,12H2,1H3,(H,20,22)
InChIKeyYCBYNNHTIZSETR-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111482745
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452036
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111452101
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111451685
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide (CID 111452292) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide is CC(O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is YCBYNNHTIZSETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(23,16-6-9-24-11-16)12-20-17(22)15-4-2-14(3-5-15)10-21-8-7-19-13-21/h2-9,11,13,23H,10,12H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 341.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 111452292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).