N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide

C19H18N4O2 — CID 73056708

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1-c1ccccc1
InChIInChI=1S/C19H18N4O2/c20-18(24)15(11-13-7-3-1-4-8-13)23-19(25)17-16(21-12-22-17)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,20,24)(H,21,22)(H,23,25)/t15-/m0/s1
InChIKeyOHOAQMIXYXHCDM-HNNXBMFYSA-N
MW334.38 g/mol
LogP1.90
Rot. Bonds6

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide (PubChem CID 73056708) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide
PubChem CID73056708
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1-c1ccccc1
InChIInChI=1S/C19H18N4O2/c20-18(24)15(11-13-7-3-1-4-8-13)23-19(25)17-16(21-12-22-17)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,20,24)(H,21,22)(H,23,25)/t15-/m0/s1
InChIKeyOHOAQMIXYXHCDM-HNNXBMFYSA-N
XLogP1.90
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 162650292
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CID 162665723
CID 162665723
CID 5178210
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CID 558869
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CID 564890
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CID 604408
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CID 10366360
CID 10366360

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide (CID 73056708) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide is NC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1-c1ccccc1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is OHOAQMIXYXHCDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-18(24)15(11-13-7-3-1-4-8-13)23-19(25)17-16(21-12-22-17)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,20,24)(H,21,22)(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 73056708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).