N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide

C20H18N4O2S — CID 17433529

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3ccc4nc[nH]c4c3)sc2C)cc1
InChIInChI=1S/C20H18N4O2S/c1-3-26-15-7-4-13(5-8-15)18-12(2)27-20(23-18)24-19(25)14-6-9-16-17(10-14)22-11-21-16/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyXRMKPHBENDRJLM-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.65
Rot. Bonds5

About N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 17433529) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID17433529
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3ccc4nc[nH]c4c3)sc2C)cc1
InChIInChI=1S/C20H18N4O2S/c1-3-26-15-7-4-13(5-8-15)18-12(2)27-20(23-18)24-19(25)14-6-9-16-17(10-14)22-11-21-16/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyXRMKPHBENDRJLM-UHFFFAOYSA-N
XLogP4.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 8610429
N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 167964916
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993148
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
4-(dibutylsulfamoyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3598751
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 4619100
4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2473350
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide (CID 17433529) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide is CCOc1ccc(-c2nc(NC(=O)c3ccc4nc[nH]c4c3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is XRMKPHBENDRJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-26-15-7-4-13(5-8-15)18-12(2)27-20(23-18)24-19(25)14-6-9-16-17(10-14)22-11-21-16/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24,25).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 17433529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).