N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine

C12H15F2N3 — CID 81449443

IUPACN-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C12H15F2N3/c1-7(2)15-4-3-11-16-10-6-8(13)5-9(14)12(10)17-11/h5-7,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyUMRLMJRFXPMQRY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine

N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine (PubChem CID 81449443) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
PubChem CID81449443
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C12H15F2N3/c1-7(2)15-4-3-11-16-10-6-8(13)5-9(14)12(10)17-11/h5-7,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyUMRLMJRFXPMQRY-UHFFFAOYSA-N
XLogP2.38
TPSA40.71 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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine (CID 81449443) is N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine is CC(C)NCCc1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is UMRLMJRFXPMQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-7(2)15-4-3-11-16-10-6-8(13)5-9(14)12(10)17-11/h5-7,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine?
N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 239.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 81449443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).