ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate

C17H20N4O5 — CID 46904173

IUPACethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](C)CO)cc1
InChIInChI=1S/C17H20N4O5/c1-3-26-17(25)11-4-6-12(7-5-11)21-16(24)14-13(18-9-19-14)15(23)20-10(2)8-22/h4-7,9-10,22H,3,8H2,1-2H3,(H,18,19)(H,20,23)(H,21,24)/t10-/m0/s1
InChIKeyQPJZRFKUULNUTC-JTQLQIEISA-N
MW360.37 g/mol
LogP0.95
Rot. Bonds7

About ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate

ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate (PubChem CID 46904173) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
PubChem CID46904173
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Nameethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](C)CO)cc1
InChIInChI=1S/C17H20N4O5/c1-3-26-17(25)11-4-6-12(7-5-11)21-16(24)14-13(18-9-19-14)15(23)20-10(2)8-22/h4-7,9-10,22H,3,8H2,1-2H3,(H,18,19)(H,20,23)(H,21,24)/t10-/m0/s1
InChIKeyQPJZRFKUULNUTC-JTQLQIEISA-N
XLogP0.95
TPSA133.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate 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

ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate
CID 16746613
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
tert-butyl N-[[4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]phenyl]methyl]carbamate
CID 46904178
4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 46904059
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
tert-butyl (2S)-2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate
CID 16746629
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
methyl 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 118419349
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109093781

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate (CID 46904173) is ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](C)CO)cc1.
What is the InChIKey of ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate?
The InChIKey is QPJZRFKUULNUTC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20N4O5/c1-3-26-17(25)11-4-6-12(7-5-11)21-16(24)14-13(18-9-19-14)15(23)20-10(2)8-22/h4-7,9-10,22H,3,8H2,1-2H3,(H,18,19)(H,20,23)(H,21,24)/t10-/m0/s1.
What are the key properties of ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate?
ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate has a molecular weight of 360.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 46904173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).