(3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

C17H11BrF4N2O — CID 118141753

IUPAC(3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESFc1c(Br)ccc2nc3n(c12)C(c1ccccc1OC(F)F)C[C@@H]3F
InChIInChI=1S/C17H11BrF4N2O/c18-9-5-6-11-15(14(9)20)24-12(7-10(19)16(24)23-11)8-3-1-2-4-13(8)25-17(21)22/h1-6,10,12,17H,7H2/t10-,12?/m0/s1
InChIKeyOWWUUGPPWSKDDK-NUHJPDEHSA-N
MW415.18 g/mol
LogP5.54
Rot. Bonds3

About (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

(3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 118141753) has the molecular formula C17H11BrF4N2O and a molecular weight of 415.18 g/mol. Its IUPAC name is (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name(3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID118141753
Molecular FormulaC17H11BrF4N2O
Molecular Weight415.18 g/mol
Exact Mass414.00
IUPAC Name(3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESFc1c(Br)ccc2nc3n(c12)C(c1ccccc1OC(F)F)C[C@@H]3F
InChIInChI=1S/C17H11BrF4N2O/c18-9-5-6-11-15(14(9)20)24-12(7-10(19)16(24)23-11)8-3-1-2-4-13(8)25-17(21)22/h1-6,10,12,17H,7H2/t10-,12?/m0/s1
InChIKeyOWWUUGPPWSKDDK-NUHJPDEHSA-N
XLogP5.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.18
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 118141753) is (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is Fc1c(Br)ccc2nc3n(c12)C(c1ccccc1OC(F)F)C[C@@H]3F.
What is the InChIKey of (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is OWWUUGPPWSKDDK-NUHJPDEHSA-N. The full InChI is InChI=1S/C17H11BrF4N2O/c18-9-5-6-11-15(14(9)20)24-12(7-10(19)16(24)23-11)8-3-1-2-4-13(8)25-17(21)22/h1-6,10,12,17H,7H2/t10-,12?/m0/s1.
What are the key properties of (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
(3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 415.18 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-bromo-1-[2-(difluoromethoxy)phenyl]-3,8-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 118141753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).