1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine

C11H10FN5 — CID 61285579

IUPAC1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C11H10FN5/c12-8-2-1-3-9-11(8)16-10(15-9)6-17-5-7(13)4-14-17/h1-5H,6,13H2,(H,15,16)
InChIKeyVLBOTOLBOCSCMJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.53
Rot. Bonds2

About 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine

1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine (PubChem CID 61285579) has the molecular formula C11H10FN5 and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
PubChem CID61285579
Molecular FormulaC11H10FN5
Molecular Weight231.23 g/mol
Exact Mass231.09
IUPAC Name1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C11H10FN5/c12-8-2-1-3-9-11(8)16-10(15-9)6-17-5-7(13)4-14-17/h1-5H,6,13H2,(H,15,16)
InChIKeyVLBOTOLBOCSCMJ-UHFFFAOYSA-N
XLogP1.53
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine (CID 61285579) is 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine is Nc1cnn(Cc2nc3c(F)cccc3[nH]2)c1.
What is the InChIKey of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is VLBOTOLBOCSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5/c12-8-2-1-3-9-11(8)16-10(15-9)6-17-5-7(13)4-14-17/h1-5H,6,13H2,(H,15,16).
What are the key properties of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 231.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 61285579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).