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

C19H18N4O2 — CID 25148045

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H18N4O2/c20-17(24)15(11-13-7-3-1-4-8-13)23-19(25)16-12-21-18(22-16)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,20,24)(H,21,22)(H,23,25)/t15-/m0/s1
InChIKeyDVRHNBLJRHCUAQ-HNNXBMFYSA-N
MW334.38 g/mol
LogP1.90
Rot. Bonds6

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

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide (PubChem CID 25148045) 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]-2-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
PubChem CID25148045
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H18N4O2/c20-17(24)15(11-13-7-3-1-4-8-13)23-19(25)16-12-21-18(22-16)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,20,24)(H,21,22)(H,23,25)/t15-/m0/s1
InChIKeyDVRHNBLJRHCUAQ-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

methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate
CID 25147962
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 46870400
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide
CID 54760592
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide (CID 25148045) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide is NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is DVRHNBLJRHCUAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-17(24)15(11-13-7-3-1-4-8-13)23-19(25)16-12-21-18(22-16)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]-2-phenyl-1H-imidazole-5-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-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]-2-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 25148045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).