N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide

C9H13F2N3O2 — CID 104857161

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2/c10-9(11,6-15)5-13-8(16)1-3-14-4-2-12-7-14/h2,4,7,15H,1,3,5-6H2,(H,13,16)
InChIKeyYELBXRHYHLVLSX-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.02
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide (PubChem CID 104857161) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide
PubChem CID104857161
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2/c10-9(11,6-15)5-13-8(16)1-3-14-4-2-12-7-14/h2,4,7,15H,1,3,5-6H2,(H,13,16)
InChIKeyYELBXRHYHLVLSX-UHFFFAOYSA-N
XLogP0.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

alpha,alpha-Difluoro-N-(2-hydroxyethyl)-2-nitro-1H-imidazole-1-propanamide
CID 366729
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
N-(3-imidazolylpropyl)propanamide
CID 4135721
N-(3-imidazol-1-ylpropyl)acetamide
CID 5197470
N-(seryl)imidazole
CID 66681778
1-(2,2-Dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea
CID 71878374
2,2-Difluoro-N-(3-hydroxypropyl)-3-(2-nitro-1H-imidazol-1-yl)propanamide
CID 14853153
N~3~-[2,2-Difluoro-3-(2-nitro-1H-imidazol-1-yl)propanoyl]-beta-alaninamide
CID 14853141
2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide
CID 18722255
2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide
CID 87924402
N-[3-[2-amino-3-[3-(methylamino)propyl]imidazol-1-ium-1-yl]propyl]-2,2,2-trifluoroacetamide
CID 134355295
2,2,2-trifluoro-N-[3-(1H-imidazol-3-ium-3-yl)propyl]acetamide;bromide
CID 158013274

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide (CID 104857161) is N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide?
The InChIKey is YELBXRHYHLVLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c10-9(11,6-15)5-13-8(16)1-3-14-4-2-12-7-14/h2,4,7,15H,1,3,5-6H2,(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide has a molecular weight of 233.22 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 104857161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).