2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide

C19H18F5N3O2 — CID 158337258

IUPAC2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(CC1CCCCC1)NC1(C(F)(F)F)C(=O)Cc2nc3cc(F)c(F)cc3n21
InChIInChI=1S/C19H18F5N3O2/c20-11-7-13-14(8-12(11)21)27-16(25-13)9-15(28)18(27,19(22,23)24)26-17(29)6-10-4-2-1-3-5-10/h7-8,10H,1-6,9H2,(H,26,29)
InChIKeyGQSSCCLHQZZISP-UHFFFAOYSA-N
MW415.36 g/mol
LogP3.74
Rot. Bonds3

About 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide

2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 158337258) has the molecular formula C19H18F5N3O2 and a molecular weight of 415.36 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID158337258
Molecular FormulaC19H18F5N3O2
Molecular Weight415.36 g/mol
Exact Mass415.13
IUPAC Name2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(CC1CCCCC1)NC1(C(F)(F)F)C(=O)Cc2nc3cc(F)c(F)cc3n21
InChIInChI=1S/C19H18F5N3O2/c20-11-7-13-14(8-12(11)21)27-16(25-13)9-15(28)18(27,19(22,23)24)26-17(29)6-10-4-2-1-3-5-10/h7-8,10H,1-6,9H2,(H,26,29)
InChIKeyGQSSCCLHQZZISP-UHFFFAOYSA-N
XLogP3.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide (CID 158337258) is 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide is O=C(CC1CCCCC1)NC1(C(F)(F)F)C(=O)Cc2nc3cc(F)c(F)cc3n21.
What is the InChIKey of 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is GQSSCCLHQZZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O2/c20-11-7-13-14(8-12(11)21)27-16(25-13)9-15(28)18(27,19(22,23)24)26-17(29)6-10-4-2-1-3-5-10/h7-8,10H,1-6,9H2,(H,26,29).
What are the key properties of 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide?
2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 415.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 158337258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).