7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

C15H11ClF2N4 — CID 129102619

IUPAC7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCC1CCc2nc3c(F)cc(-c4nc(Cl)ncc4F)cc3n21
InChIInChI=1S/C15H11ClF2N4/c1-7-2-3-12-20-14-9(17)4-8(5-11(14)22(7)12)13-10(18)6-19-15(16)21-13/h4-7H,2-3H2,1H3
InChIKeyCFJXKSUZGIMCPP-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.93
Rot. Bonds1

About 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 129102619) has the molecular formula C15H11ClF2N4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID129102619
Molecular FormulaC15H11ClF2N4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCC1CCc2nc3c(F)cc(-c4nc(Cl)ncc4F)cc3n21
InChIInChI=1S/C15H11ClF2N4/c1-7-2-3-12-20-14-9(17)4-8(5-11(14)22(7)12)13-10(18)6-19-15(16)21-13/h4-7H,2-3H2,1H3
InChIKeyCFJXKSUZGIMCPP-UHFFFAOYSA-N
XLogP3.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-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 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 129102619) is 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is CC1CCc2nc3c(F)cc(-c4nc(Cl)ncc4F)cc3n21.
What is the InChIKey of 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is CFJXKSUZGIMCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4/c1-7-2-3-12-20-14-9(17)4-8(5-11(14)22(7)12)13-10(18)6-19-15(16)21-13/h4-7H,2-3H2,1H3.
What are the key properties of 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 320.73 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 129102619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).