2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine

C21H20N4S — CID 50976236

IUPAC2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine
SMILESCc1cc(-c2c(-c3ccccc3)ncn2CCc2cnccn2)sc1C
InChIInChI=1S/C21H20N4S/c1-15-12-19(26-16(15)2)21-20(17-6-4-3-5-7-17)24-14-25(21)11-8-18-13-22-9-10-23-18/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKeyWSMINBWKZAKTIZ-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.93
Rot. Bonds5

About 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine

2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine (PubChem CID 50976236) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine.

Molecular Properties

Compound Name2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine
PubChem CID50976236
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC Name2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine
SMILESCc1cc(-c2c(-c3ccccc3)ncn2CCc2cnccn2)sc1C
InChIInChI=1S/C21H20N4S/c1-15-12-19(26-16(15)2)21-20(17-6-4-3-5-7-17)24-14-25(21)11-8-18-13-22-9-10-23-18/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKeyWSMINBWKZAKTIZ-UHFFFAOYSA-N
XLogP4.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-diphenyl-1-propylimidazole
CID 14950648
4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50957636
4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole
CID 50973587
2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine
CID 50976189
3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid
CID 70783823
4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
CID 50955094
3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine
CID 50964809
2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 50954542
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50985644
2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 10405619
2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine
CID 56880487
3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
CID 50977151

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine?
The IUPAC name of 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine (CID 50976236) is 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine.
What is the SMILES notation for 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine?
The canonical SMILES for 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine is Cc1cc(-c2c(-c3ccccc3)ncn2CCc2cnccn2)sc1C.
What is the InChIKey of 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine?
The InChIKey is WSMINBWKZAKTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-15-12-19(26-16(15)2)21-20(17-6-4-3-5-7-17)24-14-25(21)11-8-18-13-22-9-10-23-18/h3-7,9-10,12-14H,8,11H2,1-2H3.
What are the key properties of 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine?
2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine has a molecular weight of 360.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine is sourced from PubChem (CID 50976236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).