6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine

C12H12FN5 — CID 62378399

IUPAC6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1CCn1cccn1
InChIInChI=1S/C12H12FN5/c13-9-2-3-10-11(8-9)18(12(14)16-10)7-6-17-5-1-4-15-17/h1-5,8H,6-7H2,(H2,14,16)
InChIKeyKDOIXZPWZITNJE-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.65
Rot. Bonds3

About 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine

6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine (PubChem CID 62378399) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
PubChem CID62378399
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1CCn1cccn1
InChIInChI=1S/C12H12FN5/c13-9-2-3-10-11(8-9)18(12(14)16-10)7-6-17-5-1-4-15-17/h1-5,8H,6-7H2,(H2,14,16)
InChIKeyKDOIXZPWZITNJE-UHFFFAOYSA-N
XLogP1.65
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine (CID 62378399) is 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine is Nc1nc2ccc(F)cc2n1CCn1cccn1.
What is the InChIKey of 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine?
The InChIKey is KDOIXZPWZITNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c13-9-2-3-10-11(8-9)18(12(14)16-10)7-6-17-5-1-4-15-17/h1-5,8H,6-7H2,(H2,14,16).
What are the key properties of 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine?
6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine has a molecular weight of 245.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 62378399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).