N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide

C19H19N3O2 — CID 111425601

IUPACN-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
SMILESCC(O)(CNC(=O)c1cccc(-n2ccnc2)c1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-19(24,16-7-3-2-4-8-16)13-21-18(23)15-6-5-9-17(12-15)22-11-10-20-14-22/h2-12,14,24H,13H2,1H3,(H,21,23)
InChIKeyNDXLDCZABOWBCA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.51
Rot. Bonds5

About N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide

N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide (PubChem CID 111425601) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
PubChem CID111425601
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
SMILESCC(O)(CNC(=O)c1cccc(-n2ccnc2)c1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-19(24,16-7-3-2-4-8-16)13-21-18(23)15-6-5-9-17(12-15)22-11-10-20-14-22/h2-12,14,24H,13H2,1H3,(H,21,23)
InChIKeyNDXLDCZABOWBCA-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 154748801
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
CID 155948039
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
1-(3-tert-butylphenyl)imidazole
CID 59332766
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
CID 126769462
N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
CID 111486071
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
CID 65113690
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide (CID 111425601) is N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide is CC(O)(CNC(=O)c1cccc(-n2ccnc2)c1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide?
The InChIKey is NDXLDCZABOWBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(24,16-7-3-2-4-8-16)13-21-18(23)15-6-5-9-17(12-15)22-11-10-20-14-22/h2-12,14,24H,13H2,1H3,(H,21,23).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide?
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide is sourced from PubChem (CID 111425601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).