N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide

C12H13N3O — CID 141124408

IUPACN-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O/c1-9(10-5-3-2-4-6-10)15-12(16)11-7-13-8-14-11/h2-9H,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyONEORFPMNAUHNR-SECBINFHSA-N
MW215.26 g/mol
LogP1.90
Rot. Bonds3

About N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide

N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide (PubChem CID 141124408) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
PubChem CID141124408
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O/c1-9(10-5-3-2-4-6-10)15-12(16)11-7-13-8-14-11/h2-9H,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyONEORFPMNAUHNR-SECBINFHSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
CID 99974325
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide
CID 96586898
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
CID 59356747
5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246
4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 17026858

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide (CID 141124408) is N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide is C[C@@H](NC(=O)c1cnc[nH]1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide?
The InChIKey is ONEORFPMNAUHNR-SECBINFHSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(10-5-3-2-4-6-10)15-12(16)11-7-13-8-14-11/h2-9H,1H3,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide?
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 141124408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).