(1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

C23H18F3N3O — CID 118156462

IUPAC(1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cc(-c2cc3c(cc2F)nc2n3[C@@H](c3ccccc3OC(F)F)CC2)ccn1
InChIInChI=1S/C23H18F3N3O/c1-13-10-14(8-9-27-13)16-11-20-18(12-17(16)24)28-22-7-6-19(29(20)22)15-4-2-3-5-21(15)30-23(25)26/h2-5,8-12,19,23H,6-7H2,1H3/t19-/m1/s1
InChIKeyGOKDODFKKJHZJW-LJQANCHMSA-N
MW409.41 g/mol
LogP5.68
Rot. Bonds4

About (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

(1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 118156462) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name(1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID118156462
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name(1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cc(-c2cc3c(cc2F)nc2n3[C@@H](c3ccccc3OC(F)F)CC2)ccn1
InChIInChI=1S/C23H18F3N3O/c1-13-10-14(8-9-27-13)16-11-20-18(12-17(16)24)28-22-7-6-19(29(20)22)15-4-2-3-5-21(15)30-23(25)26/h2-5,8-12,19,23H,6-7H2,1H3/t19-/m1/s1
InChIKeyGOKDODFKKJHZJW-LJQANCHMSA-N
XLogP5.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-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 (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 118156462) is (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is Cc1cc(-c2cc3c(cc2F)nc2n3[C@@H](c3ccccc3OC(F)F)CC2)ccn1.
What is the InChIKey of (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is GOKDODFKKJHZJW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18F3N3O/c1-13-10-14(8-9-27-13)16-11-20-18(12-17(16)24)28-22-7-6-19(29(20)22)15-4-2-3-5-21(15)30-23(25)26/h2-5,8-12,19,23H,6-7H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
(1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 409.41 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 118156462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).