4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol

C16H20FN3O — CID 136917736

IUPAC4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol
SMILESCC(C)/C(=N\[C@H](C)Cc1cnc[nH]1)c1cc(F)ccc1O
InChIInChI=1S/C16H20FN3O/c1-10(2)16(14-7-12(17)4-5-15(14)21)20-11(3)6-13-8-18-9-19-13/h4-5,7-11,21H,6H2,1-3H3,(H,18,19)/b20-16+/t11-/m1/s1
InChIKeyXIBLTBQQJGBNGS-BOZGJOGLSA-N
MW289.35 g/mol
LogP3.33
Rot. Bonds5

About 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol

4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol (PubChem CID 136917736) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol
PubChem CID136917736
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol
SMILESCC(C)/C(=N\[C@H](C)Cc1cnc[nH]1)c1cc(F)ccc1O
InChIInChI=1S/C16H20FN3O/c1-10(2)16(14-7-12(17)4-5-15(14)21)20-11(3)6-13-8-18-9-19-13/h4-5,7-11,21H,6H2,1-3H3,(H,18,19)/b20-16+/t11-/m1/s1
InChIKeyXIBLTBQQJGBNGS-BOZGJOGLSA-N
XLogP3.33
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-phenylcarbonimidoyl]phenol
CID 135528709
(2S)-2-[(5-fluoro-2-methylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 63049630
5-fluoro-2-[hydroxy-[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-[4-(trifluoromethyl)phenyl]methyl]phenol
CID 10573545
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989
N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine
CID 10353167
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
2-(ethylaminomethyl)-5-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069613
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
5-[2,4-bis(4-fluorophenyl)butyl]-1H-imidazole
CID 10757477
2-(2,5-dimethylpyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 3154321
(2S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135929337

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol?
The IUPAC name of 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol (CID 136917736) is 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol.
What is the SMILES notation for 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol?
The canonical SMILES for 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol is CC(C)/C(=N\[C@H](C)Cc1cnc[nH]1)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol?
The InChIKey is XIBLTBQQJGBNGS-BOZGJOGLSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10(2)16(14-7-12(17)4-5-15(14)21)20-11(3)6-13-8-18-9-19-13/h4-5,7-11,21H,6H2,1-3H3,(H,18,19)/b20-16+/t11-/m1/s1.
What are the key properties of 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol?
4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-propan-2-ylcarbonimidoyl]phenol is sourced from PubChem (CID 136917736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).