1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one

C15H17N3O2S2 — CID 8801255

IUPAC1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(Cc1cccs1)Cc1cccs1)N1CCNC1=O
InChIInChI=1S/C15H17N3O2S2/c19-14(18-6-5-16-15(18)20)11-17(9-12-3-1-7-21-12)10-13-4-2-8-22-13/h1-4,7-8H,5-6,9-11H2,(H,16,20)
InChIKeyQDZCYMCUXQNQBY-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.36
Rot. Bonds6

About 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one

1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one (PubChem CID 8801255) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
PubChem CID8801255
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(Cc1cccs1)Cc1cccs1)N1CCNC1=O
InChIInChI=1S/C15H17N3O2S2/c19-14(18-6-5-16-15(18)20)11-17(9-12-3-1-7-21-12)10-13-4-2-8-22-13/h1-4,7-8H,5-6,9-11H2,(H,16,20)
InChIKeyQDZCYMCUXQNQBY-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one (CID 8801255) is 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one is O=C(CN(Cc1cccs1)Cc1cccs1)N1CCNC1=O.
What is the InChIKey of 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The InChIKey is QDZCYMCUXQNQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c19-14(18-6-5-16-15(18)20)11-17(9-12-3-1-7-21-12)10-13-4-2-8-22-13/h1-4,7-8H,5-6,9-11H2,(H,16,20).
What are the key properties of 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 8801255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).