N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

C13H16ClN3OS — CID 86785368

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3OS/c1-9(2)13-15-5-6-17(13)8-12(18)16-7-10-3-4-11(14)19-10/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyDLYGNVZYTJYXCX-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.04
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 86785368) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
PubChem CID86785368
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3OS/c1-9(2)13-15-5-6-17(13)8-12(18)16-7-10-3-4-11(14)19-10/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyDLYGNVZYTJYXCX-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 131961824
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 87019238
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 71917642
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide
CID 75381770
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 87018501
N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 115187291
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (CID 86785368) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is CC(C)c1nccn1CC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is DLYGNVZYTJYXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-9(2)13-15-5-6-17(13)8-12(18)16-7-10-3-4-11(14)19-10/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 297.81 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 86785368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).