3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide

C18H17F3N4O4S — CID 175931774

IUPAC3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
SMILESCCOc1cc(S(C)(=O)=O)c(-c2nc3cc(C(F)(F)F)ccc3n2C)nc1C(N)=O
InChIInChI=1S/C18H17F3N4O4S/c1-4-29-12-8-13(30(3,27)28)15(24-14(12)16(22)26)17-23-10-7-9(18(19,20)21)5-6-11(10)25(17)2/h5-8H,4H2,1-3H3,(H2,22,26)
InChIKeyXWEWCMGROLZFKB-UHFFFAOYSA-N
MW442.42 g/mol
LogP2.56
Rot. Bonds5

About 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide

3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide (PubChem CID 175931774) has the molecular formula C18H17F3N4O4S and a molecular weight of 442.42 g/mol. Its IUPAC name is 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
PubChem CID175931774
Molecular FormulaC18H17F3N4O4S
Molecular Weight442.42 g/mol
Exact Mass442.09
IUPAC Name3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
SMILESCCOc1cc(S(C)(=O)=O)c(-c2nc3cc(C(F)(F)F)ccc3n2C)nc1C(N)=O
InChIInChI=1S/C18H17F3N4O4S/c1-4-29-12-8-13(30(3,27)28)15(24-14(12)16(22)26)17-23-10-7-9(18(19,20)21)5-6-11(10)25(17)2/h5-8H,4H2,1-3H3,(H2,22,26)
InChIKeyXWEWCMGROLZFKB-UHFFFAOYSA-N
XLogP2.56
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 170367077
2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 57345405
2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 67984963
5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
CID 90275847
methyl 6-carbamimidoyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylate
CID 175711504
ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate
CID 54209491
5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169403044
6-(1,1-difluoroethyl)-3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine
CID 118581459
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 84617334
4-[2-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N-(diaminomethylidene)butanamide
CID 151603861
3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 90324102

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide (CID 175931774) is 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide is CCOc1cc(S(C)(=O)=O)c(-c2nc3cc(C(F)(F)F)ccc3n2C)nc1C(N)=O.
What is the InChIKey of 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The InChIKey is XWEWCMGROLZFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O4S/c1-4-29-12-8-13(30(3,27)28)15(24-14(12)16(22)26)17-23-10-7-9(18(19,20)21)5-6-11(10)25(17)2/h5-8H,4H2,1-3H3,(H2,22,26).
What are the key properties of 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175931774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).