ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate

C20H17N3O2S — CID 51032807

IUPACethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2nc3ccccc3n2Cc2ccccc2)n1
InChIInChI=1S/C20H17N3O2S/c1-2-25-20(24)16-13-26-19(22-16)18-21-15-10-6-7-11-17(15)23(18)12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyJSGYUVKGMKZXJI-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.38
Rot. Bonds5

About ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 51032807) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID51032807
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Nameethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2nc3ccccc3n2Cc2ccccc2)n1
InChIInChI=1S/C20H17N3O2S/c1-2-25-20(24)16-13-26-19(22-16)18-21-15-10-6-7-11-17(15)23(18)12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyJSGYUVKGMKZXJI-UHFFFAOYSA-N
XLogP4.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl [2-(benzylsulfanyl)-1H-benzimidazol-1-yl]acetate
CID 3849497
2-((3-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)propyl)(4-p-tolylthiazol-2-yl)amino)ethyl acetate
CID 24819708
2-(1-Methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid
CID 72543866
4-[[1-(2-Methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2997868
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 129067236
Ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032685
Ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032805
(2-phenylthiazol-4-yl)(4-((2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)methyl)piperidin-1-yl)methanone
CID 45547041
Ethyl 4-methyl-2-(1-propan-2-ylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
CID 51032804
Ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 51032806
Ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 51032808
[2-(1-Benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 51032954

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate (CID 51032807) is ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2nc3ccccc3n2Cc2ccccc2)n1.
What is the InChIKey of ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is JSGYUVKGMKZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-25-20(24)16-13-26-19(22-16)18-21-15-10-6-7-11-17(15)23(18)12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3.
What are the key properties of ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 363.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51032807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).