1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide

C16H17N3O2S — CID 134791824

IUPAC1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C16H17N3O2S/c20-15(17-9-13-7-4-8-22-13)14-11-19(16(21)18-14)10-12-5-2-1-3-6-12/h1-8,14H,9-11H2,(H,17,20)(H,18,21)
InChIKeyNERIZTBSDQHVAX-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.96
Rot. Bonds5

About 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide

1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide (PubChem CID 134791824) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
PubChem CID134791824
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C16H17N3O2S/c20-15(17-9-13-7-4-8-22-13)14-11-19(16(21)18-14)10-12-5-2-1-3-6-12/h1-8,14H,9-11H2,(H,17,20)(H,18,21)
InChIKeyNERIZTBSDQHVAX-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 42618125
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CID 900263
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CID 4786487
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CID 4878898
CID 4878898
CID 7809163
CID 7809163
CID 18107541
CID 18107541
CID 42618129
CID 42618129
CID 4876213
CID 4876213
CID 652619
CID 652619
CID 1815730
CID 1815730
CID 2551998
CID 2551998
CID 2569251
CID 2569251

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide (CID 134791824) is 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide is O=C(NCc1cccs1)C1CN(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide?
The InChIKey is NERIZTBSDQHVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(17-9-13-7-4-8-22-13)14-11-19(16(21)18-14)10-12-5-2-1-3-6-12/h1-8,14H,9-11H2,(H,17,20)(H,18,21).
What are the key properties of 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide?
1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide is sourced from PubChem (CID 134791824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).