1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol

C17H19FN4O — CID 155131647

IUPAC1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cc3c(cc2F)nc2n3CCC2)cn1
InChIInChI=1S/C17H19FN4O/c1-17(2,23)10-21-9-11(8-19-21)12-6-15-14(7-13(12)18)20-16-4-3-5-22(15)16/h6-9,23H,3-5,10H2,1-2H3
InChIKeyFPFWBXALNAPCKR-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.76
Rot. Bonds3

About 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 155131647) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID155131647
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cc3c(cc2F)nc2n3CCC2)cn1
InChIInChI=1S/C17H19FN4O/c1-17(2,23)10-21-9-11(8-19-21)12-6-15-14(7-13(12)18)20-16-4-3-5-22(15)16/h6-9,23H,3-5,10H2,1-2H3
InChIKeyFPFWBXALNAPCKR-UHFFFAOYSA-N
XLogP2.76
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol (CID 155131647) is 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2cc3c(cc2F)nc2n3CCC2)cn1.
What is the InChIKey of 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is FPFWBXALNAPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-17(2,23)10-21-9-11(8-19-21)12-6-15-14(7-13(12)18)20-16-4-3-5-22(15)16/h6-9,23H,3-5,10H2,1-2H3.
What are the key properties of 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 314.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 155131647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).