2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide

C16H15F3N4O2 — CID 34464688

IUPAC2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1CC(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-8-5-11(9(2)23(8)7-16(17,18)19)14(24)20-10-3-4-12-13(6-10)22-15(25)21-12/h3-6H,7H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyNFZHCJLQIZRJSB-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.09
Rot. Bonds3

About 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide

2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide (PubChem CID 34464688) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
PubChem CID34464688
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1CC(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-8-5-11(9(2)23(8)7-16(17,18)19)14(24)20-10-3-4-12-13(6-10)22-15(25)21-12/h3-6H,7H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyNFZHCJLQIZRJSB-UHFFFAOYSA-N
XLogP3.09
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide (CID 34464688) is 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1CC(F)(F)F.
What is the InChIKey of 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The InChIKey is NFZHCJLQIZRJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-8-5-11(9(2)23(8)7-16(17,18)19)14(24)20-10-3-4-12-13(6-10)22-15(25)21-12/h3-6H,7H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 34464688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).