ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate

C20H17N3O2S — CID 68562557

IUPACethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)n(-c3nc(-c4ccccc4)cs3)c2c1
InChIInChI=1S/C20H17N3O2S/c1-3-25-19(24)15-9-10-16-18(11-15)23(13(2)21-16)20-22-17(12-26-20)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyOJJZTFSCJXOXBF-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.63
Rot. Bonds4

About ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate

ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate (PubChem CID 68562557) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate
PubChem CID68562557
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Nameethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)n(-c3nc(-c4ccccc4)cs3)c2c1
InChIInChI=1S/C20H17N3O2S/c1-3-25-19(24)15-9-10-16-18(11-15)23(13(2)21-16)20-22-17(12-26-20)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyOJJZTFSCJXOXBF-UHFFFAOYSA-N
XLogP4.63
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate (CID 68562557) is ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate is CCOC(=O)c1ccc2nc(C)n(-c3nc(-c4ccccc4)cs3)c2c1.
What is the InChIKey of ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate?
The InChIKey is OJJZTFSCJXOXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-3-25-19(24)15-9-10-16-18(11-15)23(13(2)21-16)20-22-17(12-26-20)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate?
ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate has a molecular weight of 363.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)benzimidazole-5-carboxylate is sourced from PubChem (CID 68562557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).