5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine

C12H15F2N3 — CID 112556455

IUPAC5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
SMILESCC(N)CCCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C12H15F2N3/c1-7(15)3-2-4-10-16-9-6-5-8(13)11(14)12(9)17-10/h5-7H,2-4,15H2,1H3,(H,16,17)
InChIKeyUMDFNQKSVLLYSC-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.51
Rot. Bonds4

About 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine

5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine (PubChem CID 112556455) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
PubChem CID112556455
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
SMILESCC(N)CCCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C12H15F2N3/c1-7(15)3-2-4-10-16-9-6-5-8(13)11(14)12(9)17-10/h5-7H,2-4,15H2,1H3,(H,16,17)
InChIKeyUMDFNQKSVLLYSC-UHFFFAOYSA-N
XLogP2.51
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine (CID 112556455) is 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine is CC(N)CCCc1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine?
The InChIKey is UMDFNQKSVLLYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-7(15)3-2-4-10-16-9-6-5-8(13)11(14)12(9)17-10/h5-7H,2-4,15H2,1H3,(H,16,17).
What are the key properties of 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine?
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine has a molecular weight of 239.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 112556455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).