4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

C16H15N3OS — CID 110690194

IUPAC4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H15N3OS/c20-16(19-8-7-14-2-1-11-21-14)13-5-3-12(4-6-13)15-17-9-10-18-15/h1-6,9-11H,7-8H2,(H,17,18)(H,19,20)
InChIKeyQFDVWVUTSJQGNB-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.11
Rot. Bonds5

About 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 110690194) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID110690194
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H15N3OS/c20-16(19-8-7-14-2-1-11-21-14)13-5-3-12(4-6-13)15-17-9-10-18-15/h1-6,9-11H,7-8H2,(H,17,18)(H,19,20)
InChIKeyQFDVWVUTSJQGNB-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
N-[2-(diethylamino)ethyl]-4-(1H-imidazol-2-yl)benzamide
CID 14664370
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
4-(2-oxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 51074825
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
2-thiophen-3-yl-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 53119776
N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide
CID 57003425

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide (CID 110690194) is 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is QFDVWVUTSJQGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-16(19-8-7-14-2-1-11-21-14)13-5-3-12(4-6-13)15-17-9-10-18-15/h1-6,9-11H,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide?
4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 297.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 110690194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).