1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole

C13H11FN4 — CID 155530085

IUPAC1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole
SMILESFc1ccc2nc(-c3cn[nH]c3)n(C3CC3)c2c1
InChIInChI=1S/C13H11FN4/c14-9-1-4-11-12(5-9)18(10-2-3-10)13(17-11)8-6-15-16-7-8/h1,4-7,10H,2-3H2,(H,15,16)
InChIKeyWXKWLZQQQRGZDD-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.90
Rot. Bonds2

About 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole

1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole (PubChem CID 155530085) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole
PubChem CID155530085
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole
SMILESFc1ccc2nc(-c3cn[nH]c3)n(C3CC3)c2c1
InChIInChI=1S/C13H11FN4/c14-9-1-4-11-12(5-9)18(10-2-3-10)13(17-11)8-6-15-16-7-8/h1,4-7,10H,2-3H2,(H,15,16)
InChIKeyWXKWLZQQQRGZDD-UHFFFAOYSA-N
XLogP2.90
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole?
The IUPAC name of 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole (CID 155530085) is 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole is Fc1ccc2nc(-c3cn[nH]c3)n(C3CC3)c2c1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole?
The InChIKey is WXKWLZQQQRGZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-9-1-4-11-12(5-9)18(10-2-3-10)13(17-11)8-6-15-16-7-8/h1,4-7,10H,2-3H2,(H,15,16).
What are the key properties of 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole?
1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole has a molecular weight of 242.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole is sourced from PubChem (CID 155530085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).