(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide

C15H17F3N4O — CID 146440123

IUPAC(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESN[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)12-4-2-1-3-10(12)5-6-21-14(23)13(19)7-11-8-20-9-22-11/h1-4,8-9,13H,5-7,19H2,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyUASJWBSRBRIRBS-CYBMUJFWSA-N
MW326.32 g/mol
LogP1.66
Rot. Bonds6

About (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide

(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 146440123) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID146440123
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESN[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)12-4-2-1-3-10(12)5-6-21-14(23)13(19)7-11-8-20-9-22-11/h1-4,8-9,13H,5-7,19H2,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyUASJWBSRBRIRBS-CYBMUJFWSA-N
XLogP1.66
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 156533963
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140
(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 167113922
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 68976310
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(3-methylsulfanylpropyl)propanamide
CID 171776509
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[7-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 146451578
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide
CID 156554587
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-phenylacetic acid
CID 174909825
(3S)-3-amino-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-4-oxobutanoic acid
CID 67112441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide (CID 146440123) is (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide is N[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is UASJWBSRBRIRBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)12-4-2-1-3-10(12)5-6-21-14(23)13(19)7-11-8-20-9-22-11/h1-4,8-9,13H,5-7,19H2,(H,20,22)(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 326.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 146440123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).