3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide

C21H22N4O3 — CID 52516393

IUPAC3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide
SMILESCC[C@H](NC(=O)COc1cccc(C(N)=O)c1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H22N4O3/c1-2-17(21-23-12-18(25-21)14-7-4-3-5-8-14)24-19(26)13-28-16-10-6-9-15(11-16)20(22)27/h3-12,17H,2,13H2,1H3,(H2,22,27)(H,23,25)(H,24,26)/t17-/m0/s1
InChIKeyYKBCBOLKIZYADW-KRWDZBQOSA-N
MW378.43 g/mol
LogP2.82
Rot. Bonds8

About 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide

3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide (PubChem CID 52516393) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide.

Molecular Properties

Compound Name3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide
PubChem CID52516393
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide
SMILESCC[C@H](NC(=O)COc1cccc(C(N)=O)c1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H22N4O3/c1-2-17(21-23-12-18(25-21)14-7-4-3-5-8-14)24-19(26)13-28-16-10-6-9-15(11-16)20(22)27/h3-12,17H,2,13H2,1H3,(H2,22,27)(H,23,25)(H,24,26)/t17-/m0/s1
InChIKeyYKBCBOLKIZYADW-KRWDZBQOSA-N
XLogP2.82
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
3-(2-methoxyethoxy)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 51099230
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 94821044
N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51128542
2-[methyl(pyrazin-2-yl)amino]-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]acetamide
CID 51128541
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390
3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
CID 126431315
3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 99797134
3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 55680949
(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 95304316
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide
CID 110735606
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide?
The IUPAC name of 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide (CID 52516393) is 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide.
What is the SMILES notation for 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide?
The canonical SMILES for 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide is CC[C@H](NC(=O)COc1cccc(C(N)=O)c1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide?
The InChIKey is YKBCBOLKIZYADW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-17(21-23-12-18(25-21)14-7-4-3-5-8-14)24-19(26)13-28-16-10-6-9-15(11-16)20(22)27/h3-12,17H,2,13H2,1H3,(H2,22,27)(H,23,25)(H,24,26)/t17-/m0/s1.
What are the key properties of 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide?
3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide is sourced from PubChem (CID 52516393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).