tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate

C26H30N4O5 — CID 25000217

IUPACtert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c(=O)n(-c3ccccc3)c2-c2ccccc2)C(CO)C1
InChIInChI=1S/C26H30N4O5/c1-26(2,3)35-25(34)28-14-15-29(20(16-28)17-31)23(32)21-22(18-10-6-4-7-11-18)30(24(33)27-21)19-12-8-5-9-13-19/h4-13,20,31H,14-17H2,1-3H3,(H,27,33)
InChIKeyJMXOREWZILWEEY-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate

tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate (PubChem CID 25000217) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate
PubChem CID25000217
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Nametert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c(=O)n(-c3ccccc3)c2-c2ccccc2)C(CO)C1
InChIInChI=1S/C26H30N4O5/c1-26(2,3)35-25(34)28-14-15-29(20(16-28)17-31)23(32)21-22(18-10-6-4-7-11-18)30(24(33)27-21)19-12-8-5-9-13-19/h4-13,20,31H,14-17H2,1-3H3,(H,27,33)
InChIKeyJMXOREWZILWEEY-UHFFFAOYSA-N
XLogP2.89
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-4-(2-cyclohexa-1,3-dien-1-yl-5-methyl-1-phenylpyrrole-3-carbonyl)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 143526580
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 59292588
tert-butyl 3-(hydroxymethyl)-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 166449824
tert-butyl 4-(3-chloro-2-fluorobenzoyl)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 69035917
1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 59325209
tert-butyl 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methane;2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carboxylic acid
CID 158763138
tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]-3-(hydroxymethyl)piperazine-1-carboxylate
CID 171779093
tert-butyl 3-benzyl-4-[1-(4-hydroxyphenyl)-5-phenyltriazole-4-carbonyl]piperazine-1-carboxylate
CID 59324900
tert-butyl (3R)-3-benzyl-4-[1-(2-hydroxyethyl)-4,5-diphenylpyrazole-3-carbonyl]piperazine-1-carboxylate
CID 59324794
tert-butyl (3R)-4-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-3-[(E)-2-phenylethenyl]piperazine-1-carboxylate
CID 59324961
tert-butyl 3-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate
CID 166525697

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate (CID 25000217) is tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c(=O)n(-c3ccccc3)c2-c2ccccc2)C(CO)C1.
What is the InChIKey of tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is JMXOREWZILWEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-26(2,3)35-25(34)28-14-15-29(20(16-28)17-31)23(32)21-22(18-10-6-4-7-11-18)30(24(33)27-21)19-12-8-5-9-13-19/h4-13,20,31H,14-17H2,1-3H3,(H,27,33).
What are the key properties of tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate?
tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 25000217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).