2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile

C10H10ClN3OS — CID 116982457

IUPAC2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile
SMILESCN1C(=O)N(CC#N)CC1c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3OS/c1-13-7(8-2-3-9(11)16-8)6-14(5-4-12)10(13)15/h2-3,7H,5-6H2,1H3
InChIKeyKUDZUNKCARLCJI-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.33
Rot. Bonds2

About 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile

2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile (PubChem CID 116982457) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile
PubChem CID116982457
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile
SMILESCN1C(=O)N(CC#N)CC1c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3OS/c1-13-7(8-2-3-9(11)16-8)6-14(5-4-12)10(13)15/h2-3,7H,5-6H2,1H3
InChIKeyKUDZUNKCARLCJI-UHFFFAOYSA-N
XLogP2.33
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile (CID 116982457) is 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile is CN1C(=O)N(CC#N)CC1c1ccc(Cl)s1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile?
The InChIKey is KUDZUNKCARLCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-13-7(8-2-3-9(11)16-8)6-14(5-4-12)10(13)15/h2-3,7H,5-6H2,1H3.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile?
2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile has a molecular weight of 255.73 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 116982457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).