7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one

C18H16F3N3O — CID 70353559

IUPAC7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccc(C(F)(F)F)cc1)N3
InChIInChI=1S/C18H16F3N3O/c1-17(2)11-7-13-14(8-12(11)24-16(17)25)23-15(22-13)9-3-5-10(6-4-9)18(19,20)21/h3-8,15,22-23H,1-2H3,(H,24,25)
InChIKeyDCCHFKPEVGOJLB-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.47
Rot. Bonds1

About 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one

7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70353559) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70353559
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccc(C(F)(F)F)cc1)N3
InChIInChI=1S/C18H16F3N3O/c1-17(2)11-7-13-14(8-12(11)24-16(17)25)23-15(22-13)9-3-5-10(6-4-9)18(19,20)21/h3-8,15,22-23H,1-2H3,(H,24,25)
InChIKeyDCCHFKPEVGOJLB-UHFFFAOYSA-N
XLogP4.47
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-Dimethyl-2-hydroxy-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-one
CID 15595463
7,7-dimethyl-2-sulfanylidene-3,5-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 15595466
1,7,7-Trimethyl-2-hydroxy-6,7-dihydro-5H-pyrrolo[2,3-f]benzimidazol-6-one
CID 20149418
Spiro(2H-benzimidazole-2,3'-(3H)indol)-2'(1'H)-one, 1,3-dihydro-1'-acetyl-5-(trifluoromethyl)-
CID 13467650
1-(3-Butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea
CID 102156523
1-[5-(Dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea
CID 122184158
7-(ethylamino)-5-fluoro-3-methyl-3-phenyl-1H-indol-2-one
CID 178321688
3-phenyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)propanamide
CID 20961985
1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 9885348
N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
CID 11153961
N-[6-Amino-1-(4-trifluoromethylbenzyl)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylpropionamide
CID 11246301
N-(1-Methyl-2-oxo-2,3-dihydro-1H-indol-4-yl)-N'-[4-(trifluoromethyl)benzyl]urea
CID 11268483

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (CID 70353559) is 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccc(C(F)(F)F)cc1)N3.
What is the InChIKey of 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is DCCHFKPEVGOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-17(2)11-7-13-14(8-12(11)24-16(17)25)23-15(22-13)9-3-5-10(6-4-9)18(19,20)21/h3-8,15,22-23H,1-2H3,(H,24,25).
What are the key properties of 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 347.34 g/mol, XLogP of 4.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70353559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).