1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine

C11H9F2N5 — CID 112556533

IUPAC1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C11H9F2N5/c12-7-1-2-8-11(10(7)13)17-9(16-8)5-18-4-6(14)3-15-18/h1-4H,5,14H2,(H,16,17)
InChIKeyHXLKUXIXWNSRBY-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.67
Rot. Bonds2

About 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine

1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine (PubChem CID 112556533) has the molecular formula C11H9F2N5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
PubChem CID112556533
Molecular FormulaC11H9F2N5
Molecular Weight249.22 g/mol
Exact Mass249.08
IUPAC Name1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C11H9F2N5/c12-7-1-2-8-11(10(7)13)17-9(16-8)5-18-4-6(14)3-15-18/h1-4H,5,14H2,(H,16,17)
InChIKeyHXLKUXIXWNSRBY-UHFFFAOYSA-N
XLogP1.67
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
CID 61285579
1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
CID 82946594
3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 115911848
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
2-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 107272709
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 115911857
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 112556455
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
CID 115911936
N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 110477254
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine (CID 112556533) is 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine is Nc1cnn(Cc2nc3c(F)c(F)ccc3[nH]2)c1.
What is the InChIKey of 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is HXLKUXIXWNSRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N5/c12-7-1-2-8-11(10(7)13)17-9(16-8)5-18-4-6(14)3-15-18/h1-4H,5,14H2,(H,16,17).
What are the key properties of 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 249.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 112556533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).