5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole

C19H18N4OS — CID 50978509

IUPAC5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole
SMILESCOC(Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)c1cccs1
InChIInChI=1S/C19H18N4OS/c1-24-15(16-8-5-11-25-16)12-23-13-22-17(14-6-3-2-4-7-14)18(23)19-20-9-10-21-19/h2-11,13,15H,12H2,1H3,(H,20,21)
InChIKeyMLCXKFUHYPNVKC-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.39
Rot. Bonds6

About 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole

5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole (PubChem CID 50978509) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole
PubChem CID50978509
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole
SMILESCOC(Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)c1cccs1
InChIInChI=1S/C19H18N4OS/c1-24-15(16-8-5-11-25-16)12-23-13-22-17(14-6-3-2-4-7-14)18(23)19-20-9-10-21-19/h2-11,13,15H,12H2,1H3,(H,20,21)
InChIKeyMLCXKFUHYPNVKC-UHFFFAOYSA-N
XLogP4.39
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 95223891
5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole
CID 50965581
2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole
CID 95555080
5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole
CID 50975704
(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 95221780
1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole
CID 75591159
ethane;2-phenyl-1H-imidazole
CID 142210082
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole
CID 95399076
[5-[1-(2-methoxy-2-thiophen-2-ylethyl)imidazol-2-yl]furan-2-yl]methanol
CID 56866506
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
4,5-diphenyl-1-propylimidazole
CID 14950648

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole (CID 50978509) is 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole is COC(Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)c1cccs1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole?
The InChIKey is MLCXKFUHYPNVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-24-15(16-8-5-11-25-16)12-23-13-22-17(14-6-3-2-4-7-14)18(23)19-20-9-10-21-19/h2-11,13,15H,12H2,1H3,(H,20,21).
What are the key properties of 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole?
5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole has a molecular weight of 350.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole is sourced from PubChem (CID 50978509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).