(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

C17H23FN4O2 — CID 97204748

IUPAC(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCN(C)[C@H](C(=O)N(CCO)Cc1nccn1C)c1ccc(F)cc1
InChIInChI=1S/C17H23FN4O2/c1-20(2)16(13-4-6-14(18)7-5-13)17(24)22(10-11-23)12-15-19-8-9-21(15)3/h4-9,16,23H,10-12H2,1-3H3/t16-/m0/s1
InChIKeyHDJPRAONGBMGMS-INIZCTEOSA-N
MW334.40 g/mol
LogP1.18
Rot. Bonds7

About (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 97204748) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID97204748
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCN(C)[C@H](C(=O)N(CCO)Cc1nccn1C)c1ccc(F)cc1
InChIInChI=1S/C17H23FN4O2/c1-20(2)16(13-4-6-14(18)7-5-13)17(24)22(10-11-23)12-15-19-8-9-21(15)3/h4-9,16,23H,10-12H2,1-3H3/t16-/m0/s1
InChIKeyHDJPRAONGBMGMS-INIZCTEOSA-N
XLogP1.18
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 119061413
1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 126447567
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131926635
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664864
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 70707028
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74239085
1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 125436502
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 56739353
(2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 97191747
formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172910120
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 97204748) is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is CN(C)[C@H](C(=O)N(CCO)Cc1nccn1C)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is HDJPRAONGBMGMS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-20(2)16(13-4-6-14(18)7-5-13)17(24)22(10-11-23)12-15-19-8-9-21(15)3/h4-9,16,23H,10-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 97204748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).