N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide

C23H26N4O3 — CID 102056383

IUPACN-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide
SMILESCCN(C(=O)NC(=O)c1ccccc1)[C@H](CO)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C23H26N4O3/c1-2-27(23(30)25-22(29)19-11-7-4-8-12-19)21(16-28)13-20-15-26(17-24-20)14-18-9-5-3-6-10-18/h3-12,15,17,21,28H,2,13-14,16H2,1H3,(H,25,29,30)/t21-/m0/s1
InChIKeyUBXNUNZPCIIAKC-NRFANRHFSA-N
MW406.49 g/mol
LogP2.71
Rot. Bonds8

About N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide

N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide (PubChem CID 102056383) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide
PubChem CID102056383
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide
SMILESCCN(C(=O)NC(=O)c1ccccc1)[C@H](CO)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C23H26N4O3/c1-2-27(23(30)25-22(29)19-11-7-4-8-12-19)21(16-28)13-20-15-26(17-24-20)14-18-9-5-3-6-10-18/h3-12,15,17,21,28H,2,13-14,16H2,1H3,(H,25,29,30)/t21-/m0/s1
InChIKeyUBXNUNZPCIIAKC-NRFANRHFSA-N
XLogP2.71
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide?
The IUPAC name of N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide (CID 102056383) is N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide.
What is the SMILES notation for N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide?
The canonical SMILES for N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide is CCN(C(=O)NC(=O)c1ccccc1)[C@H](CO)Cc1cn(Cc2ccccc2)cn1.
What is the InChIKey of N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide?
The InChIKey is UBXNUNZPCIIAKC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-27(23(30)25-22(29)19-11-7-4-8-12-19)21(16-28)13-20-15-26(17-24-20)14-18-9-5-3-6-10-18/h3-12,15,17,21,28H,2,13-14,16H2,1H3,(H,25,29,30)/t21-/m0/s1.
What are the key properties of N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide?
N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(1-benzylimidazol-4-yl)-3-hydroxypropan-2-yl]-ethylcarbamoyl]benzamide is sourced from PubChem (CID 102056383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).