N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide

C18H19N3OS — CID 110440374

IUPACN-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(C(NC(=O)Cc2cccs2)c2nccn2C)c1
InChIInChI=1S/C18H19N3OS/c1-13-5-3-6-14(11-13)17(18-19-8-9-21(18)2)20-16(22)12-15-7-4-10-23-15/h3-11,17H,12H2,1-2H3,(H,20,22)
InChIKeyVCEFRHMFKUUIOD-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.24
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide

N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 110440374) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID110440374
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(C(NC(=O)Cc2cccs2)c2nccn2C)c1
InChIInChI=1S/C18H19N3OS/c1-13-5-3-6-14(11-13)17(18-19-8-9-21(18)2)20-16(22)12-15-7-4-10-23-15/h3-11,17H,12H2,1-2H3,(H,20,22)
InChIKeyVCEFRHMFKUUIOD-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide
CID 110442119
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46647780
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
N-(1-methylimidazol-2-yl)-2-thiophen-2-ylacetamide
CID 110472554
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17465533
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide (CID 110440374) is N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide is Cc1cccc(C(NC(=O)Cc2cccs2)c2nccn2C)c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is VCEFRHMFKUUIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-5-3-6-14(11-13)17(18-19-8-9-21(18)2)20-16(22)12-15-7-4-10-23-15/h3-11,17H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 325.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110440374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).