2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole

C13H10N6S — CID 141055286

IUPAC2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole
SMILESc1cc(-c2scc(-c3ncc[nH]3)c2-c2ncc[nH]2)[nH]n1
InChIInChI=1S/C13H10N6S/c1-2-18-19-9(1)11-10(13-16-5-6-17-13)8(7-20-11)12-14-3-4-15-12/h1-7H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyNWXLWDLYNBJKSF-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.92
Rot. Bonds3

About 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole

2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole (PubChem CID 141055286) has the molecular formula C13H10N6S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole
PubChem CID141055286
Molecular FormulaC13H10N6S
Molecular Weight282.33 g/mol
Exact Mass282.07
IUPAC Name2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole
SMILESc1cc(-c2scc(-c3ncc[nH]3)c2-c2ncc[nH]2)[nH]n1
InChIInChI=1S/C13H10N6S/c1-2-18-19-9(1)11-10(13-16-5-6-17-13)8(7-20-11)12-14-3-4-15-12/h1-7H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyNWXLWDLYNBJKSF-UHFFFAOYSA-N
XLogP2.92
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-imidazol-4-yl)ethanamine
CID 16190928
3-[4-(4-Thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]propanenitrile
CID 164620163
US20230339900, Example 13
CID 162760856
5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134810006
3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134805057
2-(1H-benzimidazol-2-yl)-3-[3-(2-thienyl)-1H-pyrazol-4-yl]acrylonitrile
CID 5742209
4-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenyl-3-(2-thienyl)-1H-pyrazole
CID 7005220
1,3-dimethyl-4-({2-[5-(1H-pyrazol-3-yl)-2-thienyl]-1H-imidazol-1-yl}methyl)-1H-pyrazole
CID 56751160
1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-3-yl)-2-thienyl]-1H-1,2,3-triazole
CID 72900289
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 136076917
4-methyl-3-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 164640627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole (CID 141055286) is 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole is c1cc(-c2scc(-c3ncc[nH]3)c2-c2ncc[nH]2)[nH]n1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole?
The InChIKey is NWXLWDLYNBJKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S/c1-2-18-19-9(1)11-10(13-16-5-6-17-13)8(7-20-11)12-14-3-4-15-12/h1-7H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole?
2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole has a molecular weight of 282.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole is sourced from PubChem (CID 141055286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).