N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide

C20H17ClN4O2S — CID 53187529

IUPACN-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)C2=O)nc1)c1ccc(Cl)s1
InChIInChI=1S/C20H17ClN4O2S/c21-17-8-7-16(28-17)19(26)23-15-6-9-18(22-12-15)25-11-10-24(20(25)27)13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,23,26)
InChIKeyACFHHYNGHKLGML-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.49
Rot. Bonds5

About N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide

N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide (PubChem CID 53187529) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide
PubChem CID53187529
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC NameN-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)C2=O)nc1)c1ccc(Cl)s1
InChIInChI=1S/C20H17ClN4O2S/c21-17-8-7-16(28-17)19(26)23-15-6-9-18(22-12-15)25-11-10-24(20(25)27)13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,23,26)
InChIKeyACFHHYNGHKLGML-UHFFFAOYSA-N
XLogP4.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
CID 53187583
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide
CID 53187542
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 53187546
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
CID 53187605
N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187688
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 53187571
2-cyclohexyl-N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]acetamide
CID 53187718
N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]propanamide
CID 53187696
N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-4-methylbenzamide
CID 53187463
4-chloro-N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-methoxybenzamide
CID 53187433
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3-methylthiophene-2-carboxamide
CID 53187421

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide (CID 53187529) is N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide is O=C(Nc1ccc(N2CCN(Cc3ccccc3)C2=O)nc1)c1ccc(Cl)s1.
What is the InChIKey of N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is ACFHHYNGHKLGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c21-17-8-7-16(28-17)19(26)23-15-6-9-18(22-12-15)25-11-10-24(20(25)27)13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,23,26).
What are the key properties of N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide?
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 53187529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).