2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine

C16H17N3OS — CID 59641944

IUPAC2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2CCN)cc1
InChIInChI=1S/C16H17N3OS/c1-20-12-6-4-11(5-7-12)15-13(8-9-17)18-16(19-15)14-3-2-10-21-14/h2-7,10H,8-9,17H2,1H3,(H,18,19)
InChIKeyNSGMWCDZAKRIQW-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine

2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine (PubChem CID 59641944) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine
PubChem CID59641944
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2CCN)cc1
InChIInChI=1S/C16H17N3OS/c1-20-12-6-4-11(5-7-12)15-13(8-9-17)18-16(19-15)14-3-2-10-21-14/h2-7,10H,8-9,17H2,1H3,(H,18,19)
InChIKeyNSGMWCDZAKRIQW-UHFFFAOYSA-N
XLogP3.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 1122713
N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11466350
2,4,5-Tri-substituted imidazole, 2
CID 24825343
N-{2-[5-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825360
N-{3-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]propyl}-4-pentylbenzene-1-sulfonamide
CID 24825362
N-{2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-methylbenzene-1-sulfonamide
CID 24825363
4-butyl-N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}piperazine-1-sulfonamide
CID 24825364
N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylpiperazine-1-sulfonamide
CID 24825365
4-(2-chlorophenyl)-N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}piperazine-1-sulfonamide
CID 24825366
{[(3R)-1-benzylpyrrolidin-3-yl](methyl)sulfamoyl}({2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl})amine
CID 24825374
{ethyl[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl}({2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl})amine
CID 24825376
5-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 24825377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine (CID 59641944) is 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine is COc1ccc(-c2nc(-c3cccs3)[nH]c2CCN)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine?
The InChIKey is NSGMWCDZAKRIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-20-12-6-4-11(5-7-12)15-13(8-9-17)18-16(19-15)14-3-2-10-21-14/h2-7,10H,8-9,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine?
2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine has a molecular weight of 299.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 59641944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).