2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole

C15H16ClFN4 — CID 61461245

IUPAC2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
SMILESCC(Cn1cccn1)n1c(CCCl)nc2cc(F)ccc21
InChIInChI=1S/C15H16ClFN4/c1-11(10-20-8-2-7-18-20)21-14-4-3-12(17)9-13(14)19-15(21)5-6-16/h2-4,7-9,11H,5-6,10H2,1H3
InChIKeyZACYFIXCYSWBSE-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.41
Rot. Bonds5

About 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole

2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole (PubChem CID 61461245) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
PubChem CID61461245
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
SMILESCC(Cn1cccn1)n1c(CCCl)nc2cc(F)ccc21
InChIInChI=1S/C15H16ClFN4/c1-11(10-20-8-2-7-18-20)21-14-4-3-12(17)9-13(14)19-15(21)5-6-16/h2-4,7-9,11H,5-6,10H2,1H3
InChIKeyZACYFIXCYSWBSE-UHFFFAOYSA-N
XLogP3.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole (CID 61461245) is 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole is CC(Cn1cccn1)n1c(CCCl)nc2cc(F)ccc21.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole?
The InChIKey is ZACYFIXCYSWBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c1-11(10-20-8-2-7-18-20)21-14-4-3-12(17)9-13(14)19-15(21)5-6-16/h2-4,7-9,11H,5-6,10H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole?
2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole has a molecular weight of 306.77 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole is sourced from PubChem (CID 61461245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).