methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate

C18H14N4O2S — CID 82563265

IUPACmethyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1
InChIInChI=1S/C18H14N4O2S/c1-24-17(23)11-2-5-13(6-3-11)20-18-21-14-7-4-12(10-15(14)22-18)16-19-8-9-25-16/h2-10H,1H3,(H2,20,21,22)
InChIKeyYYSBIWPKPGXMEG-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.22
Rot. Bonds4

About methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate

methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate (PubChem CID 82563265) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
PubChem CID82563265
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Namemethyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1
InChIInChI=1S/C18H14N4O2S/c1-24-17(23)11-2-5-13(6-3-11)20-18-21-14-7-4-12(10-15(14)22-18)16-19-8-9-25-16/h2-10H,1H3,(H2,20,21,22)
InChIKeyYYSBIWPKPGXMEG-UHFFFAOYSA-N
XLogP4.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate with MolForge

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Related Compounds

N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563238
N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563255
methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1,3-thiazol-2-yl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzoate
CID 90893540
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563289
methyl 4-[[6-[bis(3-methylbutyl)carbamoyl]-1H-benzimidazol-2-yl]amino]benzoate
CID 71160709
2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
CID 87456745
N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine
CID 82563290
4-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]benzoic acid
CID 145066753
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
CID 55920700
2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate (CID 82563265) is methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1.
What is the InChIKey of methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate?
The InChIKey is YYSBIWPKPGXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-24-17(23)11-2-5-13(6-3-11)20-18-21-14-7-4-12(10-15(14)22-18)16-19-8-9-25-16/h2-10H,1H3,(H2,20,21,22).
What are the key properties of methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate?
methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate has a molecular weight of 350.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate is sourced from PubChem (CID 82563265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).