6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine

C13H14FN5O — CID 103294837

IUPAC6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine
SMILESCOCCn1cc(Nc2nc3ccc(F)cc3[nH]2)cn1
InChIInChI=1S/C13H14FN5O/c1-20-5-4-19-8-10(7-15-19)16-13-17-11-3-2-9(14)6-12(11)18-13/h2-3,6-8H,4-5H2,1H3,(H2,16,17,18)
InChIKeyJNALPEJYRLWLRD-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.29
Rot. Bonds5

About 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine

6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine (PubChem CID 103294837) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine
PubChem CID103294837
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine
SMILESCOCCn1cc(Nc2nc3ccc(F)cc3[nH]2)cn1
InChIInChI=1S/C13H14FN5O/c1-20-5-4-19-8-10(7-15-19)16-13-17-11-3-2-9(14)6-12(11)18-13/h2-3,6-8H,4-5H2,1H3,(H2,16,17,18)
InChIKeyJNALPEJYRLWLRD-UHFFFAOYSA-N
XLogP2.29
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine (CID 103294837) is 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine is COCCn1cc(Nc2nc3ccc(F)cc3[nH]2)cn1.
What is the InChIKey of 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine?
The InChIKey is JNALPEJYRLWLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c1-20-5-4-19-8-10(7-15-19)16-13-17-11-3-2-9(14)6-12(11)18-13/h2-3,6-8H,4-5H2,1H3,(H2,16,17,18).
What are the key properties of 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine?
6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine has a molecular weight of 275.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).