N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide

C18H10Cl2F3N3O2 — CID 157373279

IUPACN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)C(=O)Cc2nc3cc(Cl)c(Cl)cc3n21)c1ccccc1
InChIInChI=1S/C18H10Cl2F3N3O2/c19-10-6-12-13(7-11(10)20)26-15(24-12)8-14(27)17(26,18(21,22)23)25-16(28)9-4-2-1-3-5-9/h1-7H,8H2,(H,25,28)
InChIKeyBKAAUSWTFLBOCE-UHFFFAOYSA-N
MW428.20 g/mol
LogP4.11
Rot. Bonds2

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

N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide (PubChem CID 157373279) has the molecular formula C18H10Cl2F3N3O2 and a molecular weight of 428.20 g/mol. Its IUPAC name is N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide
PubChem CID157373279
Molecular FormulaC18H10Cl2F3N3O2
Molecular Weight428.20 g/mol
Exact Mass427.01
IUPAC NameN-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)C(=O)Cc2nc3cc(Cl)c(Cl)cc3n21)c1ccccc1
InChIInChI=1S/C18H10Cl2F3N3O2/c19-10-6-12-13(7-11(10)20)26-15(24-12)8-14(27)17(26,18(21,22)23)25-16(28)9-4-2-1-3-5-9/h1-7H,8H2,(H,25,28)
InChIKeyBKAAUSWTFLBOCE-UHFFFAOYSA-N
XLogP4.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide?
The IUPAC name of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide (CID 157373279) is N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide.
What is the SMILES notation for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide?
The canonical SMILES for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide is O=C(NC1(C(F)(F)F)C(=O)Cc2nc3cc(Cl)c(Cl)cc3n21)c1ccccc1.
What is the InChIKey of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide?
The InChIKey is BKAAUSWTFLBOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3N3O2/c19-10-6-12-13(7-11(10)20)26-15(24-12)8-14(27)17(26,18(21,22)23)25-16(28)9-4-2-1-3-5-9/h1-7H,8H2,(H,25,28).
What are the key properties of N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide?
N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide has a molecular weight of 428.20 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-pyrrolo[1,2-a]benzimidazol-1-yl]benzamide is sourced from PubChem (CID 157373279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).