ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate

C15H17N3O3 — CID 42628379

IUPACethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)13-12(16-9-17-13)14(19)18-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyRXHXZSHVCCVLGS-JTQLQIEISA-N
MW287.32 g/mol
LogP2.08
Rot. Bonds5

About ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate

ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate (PubChem CID 42628379) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate
PubChem CID42628379
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)13-12(16-9-17-13)14(19)18-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyRXHXZSHVCCVLGS-JTQLQIEISA-N
XLogP2.08
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ilp-IV-15
CID 16746610
ethyl 5-(phenylcarbamoyl)-1H-imidazole-4-carboxylate
CID 564878
ethyl 4-[(4-nitrophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 597462
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
ethyl 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 959599
(phenylmethyl) (2S)-2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]-4-methyl-pentanoate
CID 16746565
4-[(2-Amino-2-Oxoethyl)(Methyl)carbamoyl]-2-Phenyl-1h-Imidazole-5-Carboxylic Acid
CID 49835940
Ilp-III-3
CID 24793486
ethyl 4-{[(2-methylphenyl)amino]carbonyl}-1H-imidazole-5-carboxylate
CID 572364
(2S)-2-[[4-[[(1S)-2-tert-butoxy-2-keto-1-methyl-ethyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-4-methyl-valeric acid benzyl ester
CID 16746570
4-(Morpholin-4-Ylcarbonyl)-2-Phenyl-1h-Imidazole-5-Carboxylic Acid
CID 49835938
Ilp-II-109
CID 24793387

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate (CID 42628379) is ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate?
The InChIKey is RXHXZSHVCCVLGS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-15(20)13-12(16-9-17-13)14(19)18-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,17)(H,18,19)/t10-/m0/s1.
What are the key properties of ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate?
ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 42628379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).