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

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Related Compounds

6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole
CID 145177684
6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole;difluoromethane
CID 145177683
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine
CID 122657609
N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine
CID 122666610
5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-N-[5-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 122666613
4-[[6-[[5-fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylic acid
CID 135314533
(3R)-3-[6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methylbenzimidazol-1-yl]butanoic acid
CID 166707171
2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
CID 163381282
4-(1-ethyl-5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-5-fluoro-N-[5-(3-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 154964314
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-[(1S)-5-fluoro-1-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine
CID 122657617
4-[1-(difluoromethyl)-5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 122666596
4-[(1S)-1-(difluoromethyl)-5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 122657619

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).