4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine

C13H13F2N5 — CID 115508707

IUPAC4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine
SMILESCC(Cn1cccn1)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C13H13F2N5/c1-8(7-19-4-2-3-17-19)20-11-6-9(14)5-10(15)12(11)18-13(20)16/h2-6,8H,7H2,1H3,(H2,16,18)
InChIKeyXWXVMMAFSTVOHX-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.35
Rot. Bonds3

About 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine

4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine (PubChem CID 115508707) has the molecular formula C13H13F2N5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine
PubChem CID115508707
Molecular FormulaC13H13F2N5
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine
SMILESCC(Cn1cccn1)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C13H13F2N5/c1-8(7-19-4-2-3-17-19)20-11-6-9(14)5-10(15)12(11)18-13(20)16/h2-6,8H,7H2,1H3,(H2,16,18)
InChIKeyXWXVMMAFSTVOHX-UHFFFAOYSA-N
XLogP2.35
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
CID 113499218
1-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-c]pyridin-2-amine
CID 79295975
4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine
CID 115508677
5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
CID 66087109
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
CID 113325619
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
5-fluoro-3-(1-pyrazol-1-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 62376659
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-methylbutanoate
CID 115508780
4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 115508892
4,6-difluoro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115508823
2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
CID 61461245
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 115508683

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine (CID 115508707) is 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine is CC(Cn1cccn1)n1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine?
The InChIKey is XWXVMMAFSTVOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5/c1-8(7-19-4-2-3-17-19)20-11-6-9(14)5-10(15)12(11)18-13(20)16/h2-6,8H,7H2,1H3,(H2,16,18).
What are the key properties of 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine?
4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine has a molecular weight of 277.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 115508707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).