N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide

C19H19N3O2 — CID 111102738

IUPACN-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H19N3O2/c23-18(12-15-4-2-1-3-5-15)13-21-19(24)16-6-8-17(9-7-16)22-11-10-20-14-22/h1-11,14,18,23H,12-13H2,(H,21,24)
InChIKeyKQMXNJAQXFWJQN-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.21
Rot. Bonds6

About N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide

N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide (PubChem CID 111102738) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
PubChem CID111102738
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H19N3O2/c23-18(12-15-4-2-1-3-5-15)13-21-19(24)16-6-8-17(9-7-16)22-11-10-20-14-22/h1-11,14,18,23H,12-13H2,(H,21,24)
InChIKeyKQMXNJAQXFWJQN-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 111102425
N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 167974637
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 164690314
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide
CID 42945317
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide
CID 91343467
4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102382
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide (CID 111102738) is N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide is O=C(NCC(O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide?
The InChIKey is KQMXNJAQXFWJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(12-15-4-2-1-3-5-15)13-21-19(24)16-6-8-17(9-7-16)22-11-10-20-14-22/h1-11,14,18,23H,12-13H2,(H,21,24).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide?
N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 111102738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).