methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate

C13H11N3O2S — CID 141395976

IUPACmethyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2Cc1cncs1
InChIInChI=1S/C13H11N3O2S/c1-18-13(17)9-2-3-12-11(4-9)15-7-16(12)6-10-5-14-8-19-10/h2-5,7-8H,6H2,1H3
InChIKeyYJDFRMNJXLZMJP-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.33
Rot. Bonds3

About methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate

methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate (PubChem CID 141395976) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate
PubChem CID141395976
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Namemethyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2Cc1cncs1
InChIInChI=1S/C13H11N3O2S/c1-18-13(17)9-2-3-12-11(4-9)15-7-16(12)6-10-5-14-8-19-10/h2-5,7-8H,6H2,1H3
InChIKeyYJDFRMNJXLZMJP-UHFFFAOYSA-N
XLogP2.33
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
methyl 1-(1,3-thiazol-5-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 112641100
methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 164580306
1-[(5-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 62057395
methyl 3-[(4-diethoxyphosphorylphenyl)methyl]benzimidazole-5-carboxylate
CID 155195344
methyl 1-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]benzimidazole-5-carboxylate;methyl 3-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]benzimidazole-5-carboxylate
CID 159585752
methyl 2-(2-azabicyclo[4.1.0]heptan-5-ylmethyl)-3-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate
CID 169160292
methyl 4-nitro-3-(1,3-thiazol-5-ylmethylamino)benzoate
CID 104577397
methyl 3-acetylbenzimidazole-5-carboxylate
CID 12795316
ethyl 1-(2,2-difluoroethyl)benzimidazole-5-carboxylate
CID 152584994
methyl 3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175810663
methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
CID 67372009

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate (CID 141395976) is methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)ncn2Cc1cncs1.
What is the InChIKey of methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate?
The InChIKey is YJDFRMNJXLZMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-18-13(17)9-2-3-12-11(4-9)15-7-16(12)6-10-5-14-8-19-10/h2-5,7-8H,6H2,1H3.
What are the key properties of methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate?
methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate has a molecular weight of 273.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 141395976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).