ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate

C21H19N3O2S — CID 51032805

IUPACethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2nc3ccccc3n2Cc2ccccc2)nc1C
InChIInChI=1S/C21H19N3O2S/c1-3-26-21(25)18-14(2)22-20(27-18)19-23-16-11-7-8-12-17(16)24(19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyBGCTWBAKUYYGQQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.69
Rot. Bonds5

About ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 51032805) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID51032805
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Nameethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2nc3ccccc3n2Cc2ccccc2)nc1C
InChIInChI=1S/C21H19N3O2S/c1-3-26-21(25)18-14(2)22-20(27-18)19-23-16-11-7-8-12-17(16)24(19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyBGCTWBAKUYYGQQ-UHFFFAOYSA-N
XLogP4.69
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxylate
CID 853929
ethyl 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2999022
Ethyl 2-(2-phenylpyrrolo[3,2-b]quinoxalin-1-yl)thiophene-3-carboxylate
CID 118712840
Ethyl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 127033325
ethyl 2-[2-(1-ethylbenzimidazol-2-yl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 50905146
2-(1-benzylbenzimidazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50994502
2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 50994503
Ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032685
2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 51032809
2-(1-benzylbenzimidazol-2-yl)-N-cyclohexyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51032810
Ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 51032679
2-(1-Benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 51032680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 51032805) is ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2nc3ccccc3n2Cc2ccccc2)nc1C.
What is the InChIKey of ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BGCTWBAKUYYGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-3-26-21(25)18-14(2)22-20(27-18)19-23-16-11-7-8-12-17(16)24(19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 377.47 g/mol, XLogP of 4.69, 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)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 51032805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).