(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide

C16H20BrN3O2 — CID 99791201

IUPAC(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)N[C@@H](C)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C16H20BrN3O2/c1-4-22-11(3)16(21)19-10(2)15-18-9-14(20-15)12-5-7-13(17)8-6-12/h5-11H,4H2,1-3H3,(H,18,20)(H,19,21)/t10-,11-/m0/s1
InChIKeyAHMFYMIFEWYZJX-QWRGUYRKSA-N
MW366.26 g/mol
LogP3.44
Rot. Bonds6

About (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide

(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide (PubChem CID 99791201) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide
PubChem CID99791201
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)N[C@@H](C)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C16H20BrN3O2/c1-4-22-11(3)16(21)19-10(2)15-18-9-14(20-15)12-5-7-13(17)8-6-12/h5-11H,4H2,1-3H3,(H,18,20)(H,19,21)/t10-,11-/m0/s1
InChIKeyAHMFYMIFEWYZJX-QWRGUYRKSA-N
XLogP3.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 94823273
methyl N-[(2S,3R)-1-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]amino]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 130401000
tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 59347645
[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 141368702
methyl 3-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamoyl]benzoate
CID 99791199
N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 91651576
methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate
CID 94819141
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide
CID 102563477
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
methyl N-[3-hydroxy-1-[1-[5-[4-[2-[4-[2-[1-[[3-hydroxy-2-(methoxycarbonylamino)butanoyl]amino]ethyl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]ethylamino]-1-oxobutan-2-yl]carbamate
CID 77400552
tert-butyl N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 123310590

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide?
The IUPAC name of (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide (CID 99791201) is (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide is CCO[C@@H](C)C(=O)N[C@@H](C)c1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide?
The InChIKey is AHMFYMIFEWYZJX-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-4-22-11(3)16(21)19-10(2)15-18-9-14(20-15)12-5-7-13(17)8-6-12/h5-11H,4H2,1-3H3,(H,18,20)(H,19,21)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide?
(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide has a molecular weight of 366.26 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide is sourced from PubChem (CID 99791201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).