benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate

C24H25N5O4 — CID 24793387

IUPACbenzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
SMILESO=C(CNC(=O)c1nc[nH]c1C(=O)N1CCN(c2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C24H25N5O4/c30-20(33-16-18-7-3-1-4-8-18)15-25-23(31)21-22(27-17-26-21)24(32)29-13-11-28(12-14-29)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,25,31)(H,26,27)
InChIKeyYIHBTELFDOAZRI-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.85
Rot. Bonds7

About benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate

benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate (PubChem CID 24793387) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
PubChem CID24793387
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Namebenzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
SMILESO=C(CNC(=O)c1nc[nH]c1C(=O)N1CCN(c2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C24H25N5O4/c30-20(33-16-18-7-3-1-4-8-18)15-25-23(31)21-22(27-17-26-21)24(32)29-13-11-28(12-14-29)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,25,31)(H,26,27)
InChIKeyYIHBTELFDOAZRI-UHFFFAOYSA-N
XLogP1.85
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The IUPAC name of benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate (CID 24793387) is benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate is O=C(CNC(=O)c1nc[nH]c1C(=O)N1CCN(c2ccccc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The InChIKey is YIHBTELFDOAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c30-20(33-16-18-7-3-1-4-8-18)15-25-23(31)21-22(27-17-26-21)24(32)29-13-11-28(12-14-29)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,25,31)(H,26,27).
What are the key properties of benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate has a molecular weight of 447.50 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 24793387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).