5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine

C11H10FN5 — CID 79779520

IUPAC5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine
SMILESCn1ccc(-n2c(N)nc3cc(F)ccc32)n1
InChIInChI=1S/C11H10FN5/c1-16-5-4-10(15-16)17-9-3-2-7(12)6-8(9)14-11(17)13/h2-6H,1H3,(H2,13,14)
InChIKeySBFKZTHZRXNISM-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.48
Rot. Bonds1

About 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine

5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine (PubChem CID 79779520) has the molecular formula C11H10FN5 and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine
PubChem CID79779520
Molecular FormulaC11H10FN5
Molecular Weight231.23 g/mol
Exact Mass231.09
IUPAC Name5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine
SMILESCn1ccc(-n2c(N)nc3cc(F)ccc32)n1
InChIInChI=1S/C11H10FN5/c1-16-5-4-10(15-16)17-9-3-2-7(12)6-8(9)14-11(17)13/h2-6H,1H3,(H2,13,14)
InChIKeySBFKZTHZRXNISM-UHFFFAOYSA-N
XLogP1.48
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine (CID 79779520) is 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine is Cn1ccc(-n2c(N)nc3cc(F)ccc32)n1.
What is the InChIKey of 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine?
The InChIKey is SBFKZTHZRXNISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5/c1-16-5-4-10(15-16)17-9-3-2-7(12)6-8(9)14-11(17)13/h2-6H,1H3,(H2,13,14).
What are the key properties of 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine?
5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine has a molecular weight of 231.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 79779520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).