(5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate

C19H20N4O2S — CID 57455823

IUPAC(5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate
SMILESO=C(On1cncc1-c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2S/c24-19(25-23-15-20-13-17(23)18-7-4-12-26-18)22-10-8-21(9-11-22)14-16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2
InChIKeyMWQAJMWYPJWCBF-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.98
Rot. Bonds4

About (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate

(5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate (PubChem CID 57455823) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate
PubChem CID57455823
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate
SMILESO=C(On1cncc1-c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2S/c24-19(25-23-15-20-13-17(23)18-7-4-12-26-18)22-10-8-21(9-11-22)14-16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2
InChIKeyMWQAJMWYPJWCBF-UHFFFAOYSA-N
XLogP2.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate?
The IUPAC name of (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate (CID 57455823) is (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate.
What is the SMILES notation for (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate?
The canonical SMILES for (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate is O=C(On1cncc1-c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate?
The InChIKey is MWQAJMWYPJWCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(25-23-15-20-13-17(23)18-7-4-12-26-18)22-10-8-21(9-11-22)14-16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2.
What are the key properties of (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate?
(5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate is sourced from PubChem (CID 57455823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).