3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide

C19H15F3N4O4 — CID 136960921

IUPAC3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2(C(F)(F)F)C(=O)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C19H15F3N4O4/c1-29-11-7-10(8-12(9-11)30-2)15(27)25-18(19(20,21)22)16(28)24-17-23-13-5-3-4-6-14(13)26(17)18/h3-9H,1-2H3,(H,25,27)(H,23,24,28)
InChIKeyMSAIMADFKNYRKO-UHFFFAOYSA-N
MW420.35 g/mol
LogP2.65
Rot. Bonds4

About 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide

3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide (PubChem CID 136960921) has the molecular formula C19H15F3N4O4 and a molecular weight of 420.35 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide
PubChem CID136960921
Molecular FormulaC19H15F3N4O4
Molecular Weight420.35 g/mol
Exact Mass420.10
IUPAC Name3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2(C(F)(F)F)C(=O)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C19H15F3N4O4/c1-29-11-7-10(8-12(9-11)30-2)15(27)25-18(19(20,21)22)16(28)24-17-23-13-5-3-4-6-14(13)26(17)18/h3-9H,1-2H3,(H,25,27)(H,23,24,28)
InChIKeyMSAIMADFKNYRKO-UHFFFAOYSA-N
XLogP2.65
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide
CID 136960868
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 136961036
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(2-methoxyethylamino)pyridine-2-carboxamide
CID 136960903
2-methoxy-N-[1-oxo-2-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-2-yl]benzamide
CID 135651286
N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-6-(3-methoxypropylamino)pyridine-2-carboxamide
CID 136960926
(2R)-2-(3-chlorophenoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide
CID 136960863
N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide
CID 136960299
N-[5-acetyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-(2-methoxyethylamino)-1,3-thiazole-4-carboxamide
CID 136960912
phenyl 1-(3-cyclopentylpropanoylamino)-6-methoxy-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazole-5-carboxylate
CID 137157197
3,5-dimethoxy-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879493
(3S,4R)-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 135895825
2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 136961012

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide (CID 136960921) is 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide is COc1cc(OC)cc(C(=O)NC2(C(F)(F)F)C(=O)Nc3nc4ccccc4n32)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide?
The InChIKey is MSAIMADFKNYRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4/c1-29-11-7-10(8-12(9-11)30-2)15(27)25-18(19(20,21)22)16(28)24-17-23-13-5-3-4-6-14(13)26(17)18/h3-9H,1-2H3,(H,25,27)(H,23,24,28).
What are the key properties of 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide?
3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide has a molecular weight of 420.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]benzamide is sourced from PubChem (CID 136960921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).