2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole

C19H16N6S2 — CID 20811953

IUPAC2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCn1c(Cn2ccnc2-c2nccs2)nc2ccc(-c3nccs3)cc21
InChIInChI=1S/C19H16N6S2/c1-2-25-15-11-13(18-21-6-9-26-18)3-4-14(15)23-16(25)12-24-8-5-20-17(24)19-22-7-10-27-19/h3-11H,2,12H2,1H3
InChIKeyDJGSQNRGDKCIDU-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.55
Rot. Bonds5

About 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole

2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole (PubChem CID 20811953) has the molecular formula C19H16N6S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
PubChem CID20811953
Molecular FormulaC19H16N6S2
Molecular Weight392.51 g/mol
Exact Mass392.09
IUPAC Name2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCn1c(Cn2ccnc2-c2nccs2)nc2ccc(-c3nccs3)cc21
InChIInChI=1S/C19H16N6S2/c1-2-25-15-11-13(18-21-6-9-26-18)3-4-14(15)23-16(25)12-24-8-5-20-17(24)19-22-7-10-27-19/h3-11H,2,12H2,1H3
InChIKeyDJGSQNRGDKCIDU-UHFFFAOYSA-N
XLogP4.55
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole with MolForge

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Related Compounds

5-(2-Benzothiazolyl)-3-ethyl-2-[2-(methylphenylamino)ethenyl]-1-phenyl-1H-benzimidazolium iodide
CID 5719375
N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline
CID 2326992
1-(4-Phenylthiazol-2-yl)-4-(thiophen-2-yl)-1h-imidazol-2-amine
CID 9927279
1-benzyl-2-thiazol-4-yl-1H-benzoimidazole
CID 11208551
2-(4-Pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 11509560
4-[4-(4-Methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
CID 56952125
2-[4-(4-Methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
CID 56953325
(2R)-4-[3-(4-amino-1,3,5-triazin-2-yl)-2-methylbenzimidazol-5-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 60164742
US10138245, Example 8
CID 129051760
6-[2-ethyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
CID 136105611
6-[2-tert-butyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
CID 136105635
N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]butan-1-amine
CID 136105686

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole (CID 20811953) is 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole is CCn1c(Cn2ccnc2-c2nccs2)nc2ccc(-c3nccs3)cc21.
What is the InChIKey of 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is DJGSQNRGDKCIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S2/c1-2-25-15-11-13(18-21-6-9-26-18)3-4-14(15)23-16(25)12-24-8-5-20-17(24)19-22-7-10-27-19/h3-11H,2,12H2,1H3.
What are the key properties of 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 392.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 20811953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).