N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide

C18H14F3N5O3 — CID 136961036

IUPACN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc2nc3n(c2cc1C)C(NC(=O)c1ccc[nH]c1=O)(C(F)(F)F)C(=O)N3
InChIInChI=1S/C18H14F3N5O3/c1-8-6-11-12(7-9(8)2)26-16(23-11)24-15(29)17(26,18(19,20)21)25-14(28)10-4-3-5-22-13(10)27/h3-7H,1-2H3,(H,22,27)(H,25,28)(H,23,24,29)
InChIKeyWQWYXSGUDUSKML-UHFFFAOYSA-N
MW405.34 g/mol
LogP1.94
Rot. Bonds2

About N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 136961036) has the molecular formula C18H14F3N5O3 and a molecular weight of 405.34 g/mol. Its IUPAC name is N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID136961036
Molecular FormulaC18H14F3N5O3
Molecular Weight405.34 g/mol
Exact Mass405.10
IUPAC NameN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc2nc3n(c2cc1C)C(NC(=O)c1ccc[nH]c1=O)(C(F)(F)F)C(=O)N3
InChIInChI=1S/C18H14F3N5O3/c1-8-6-11-12(7-9(8)2)26-16(23-11)24-15(29)17(26,18(19,20)21)25-14(28)10-4-3-5-22-13(10)27/h3-7H,1-2H3,(H,22,27)(H,25,28)(H,23,24,29)
InChIKeyWQWYXSGUDUSKML-UHFFFAOYSA-N
XLogP1.94
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 136961036) is N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc2nc3n(c2cc1C)C(NC(=O)c1ccc[nH]c1=O)(C(F)(F)F)C(=O)N3.
What is the InChIKey of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WQWYXSGUDUSKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3/c1-8-6-11-12(7-9(8)2)26-16(23-11)24-15(29)17(26,18(19,20)21)25-14(28)10-4-3-5-22-13(10)27/h3-7H,1-2H3,(H,22,27)(H,25,28)(H,23,24,29).
What are the key properties of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 405.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 136961036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).