N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide

C15H12ClN3OS — CID 115917971

IUPACN-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1-c1cccs1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3OS/c16-11-3-1-4-12(9-11)18-14(20)10-19-7-6-17-15(19)13-5-2-8-21-13/h1-9H,10H2,(H,18,20)
InChIKeyFRPBSQNOLRZMJF-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.90
Rot. Bonds4

About N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide

N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide (PubChem CID 115917971) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
PubChem CID115917971
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1-c1cccs1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3OS/c16-11-3-1-4-12(9-11)18-14(20)10-19-7-6-17-15(19)13-5-2-8-21-13/h1-9H,10H2,(H,18,20)
InChIKeyFRPBSQNOLRZMJF-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 113353806
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
N-(3-chlorophenyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7648829
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090832
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
3-methyl-4-(2-thiophen-2-ylimidazol-1-yl)but-2-enoic acid
CID 76975064
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide (CID 115917971) is N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide is O=C(Cn1ccnc1-c1cccs1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide?
The InChIKey is FRPBSQNOLRZMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-11-3-1-4-12(9-11)18-14(20)10-19-7-6-17-15(19)13-5-2-8-21-13/h1-9H,10H2,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide?
N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide has a molecular weight of 317.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 115917971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).