5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole

C23H20N4OS — CID 71104389

IUPAC5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2N=C(c3cccs3)NC2c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H20N4OS/c1-28-19-10-6-17(7-11-19)22-21(25-23(26-22)20-3-2-14-29-20)16-4-8-18(9-5-16)27-13-12-24-15-27/h2-15,21-22H,1H3,(H,25,26)
InChIKeyRYASUILEOYDPTE-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.77
Rot. Bonds5

About 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole

5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 71104389) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole
PubChem CID71104389
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2N=C(c3cccs3)NC2c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H20N4OS/c1-28-19-10-6-17(7-11-19)22-21(25-23(26-22)20-3-2-14-29-20)16-4-8-18(9-5-16)27-13-12-24-15-27/h2-15,21-22H,1H3,(H,25,26)
InChIKeyRYASUILEOYDPTE-UHFFFAOYSA-N
XLogP4.77
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 25031375
2-imidazol-1-yl-N-(4-methoxyphenyl)-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 67769093
N-(4-imidazol-1-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 31410008
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
(3S,4R)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70731889
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
CID 38997103
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
4-(4-imidazol-1-ylphenyl)-8-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 177313835
[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981
N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine
CID 43221446

Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole (CID 71104389) is 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole is COc1ccc(C2N=C(c3cccs3)NC2c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is RYASUILEOYDPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-28-19-10-6-17(7-11-19)22-21(25-23(26-22)20-3-2-14-29-20)16-4-8-18(9-5-16)27-13-12-24-15-27/h2-15,21-22H,1H3,(H,25,26).
What are the key properties of 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole?
5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 400.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71104389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).