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

C10H11F2N3 — CID 112556437

IUPAC1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C10H11F2N3/c1-2-6(13)10-14-7-4-3-5(11)8(12)9(7)15-10/h3-4,6H,2,13H2,1H3,(H,14,15)
InChIKeySCZSLZJLLKCOQF-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.25
Rot. Bonds2

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

1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 112556437) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID112556437
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C10H11F2N3/c1-2-6(13)10-14-7-4-3-5(11)8(12)9(7)15-10/h3-4,6H,2,13H2,1H3,(H,14,15)
InChIKeySCZSLZJLLKCOQF-UHFFFAOYSA-N
XLogP2.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine (CID 112556437) is 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine is CCC(N)c1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is SCZSLZJLLKCOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-2-6(13)10-14-7-4-3-5(11)8(12)9(7)15-10/h3-4,6H,2,13H2,1H3,(H,14,15).
What are the key properties of 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine?
1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 211.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 112556437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).