N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide

C30H26N6O2 — CID 167098739

IUPACN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide
SMILESC[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1cnc[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H26N6O2/c1-21(22-8-4-2-5-9-22)35-29(37)28(26-18-31-16-17-33-26)36(30(38)27-19-32-20-34-27)25-14-12-24(13-15-25)23-10-6-3-7-11-23/h2-21,28H,1H3,(H,32,34)(H,35,37)/t21-,28?/m0/s1
InChIKeyMEWSAFKJOGMCKZ-QDLLFRBVSA-N
MW502.58 g/mol
LogP5.13
Rot. Bonds8

About N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 167098739) has the molecular formula C30H26N6O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide
PubChem CID167098739
Molecular FormulaC30H26N6O2
Molecular Weight502.58 g/mol
Exact Mass502.21
IUPAC NameN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide
SMILESC[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1cnc[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H26N6O2/c1-21(22-8-4-2-5-9-22)35-29(37)28(26-18-31-16-17-33-26)36(30(38)27-19-32-20-34-27)25-14-12-24(13-15-25)23-10-6-3-7-11-23/h2-21,28H,1H3,(H,32,34)(H,35,37)/t21-,28?/m0/s1
InChIKeyMEWSAFKJOGMCKZ-QDLLFRBVSA-N
XLogP5.13
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide (CID 167098739) is N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide is C[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1cnc[nH]1)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is MEWSAFKJOGMCKZ-QDLLFRBVSA-N. The full InChI is InChI=1S/C30H26N6O2/c1-21(22-8-4-2-5-9-22)35-29(37)28(26-18-31-16-17-33-26)36(30(38)27-19-32-20-34-27)25-14-12-24(13-15-25)23-10-6-3-7-11-23/h2-21,28H,1H3,(H,32,34)(H,35,37)/t21-,28?/m0/s1.
What are the key properties of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide?
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 502.58 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167098739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).