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

C10H12FN3 — CID 143985988

IUPAC2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine
SMILESCC(CN)c1c(F)ccc2[nH]cnc12
InChIInChI=1S/C10H12FN3/c1-6(4-12)9-7(11)2-3-8-10(9)14-5-13-8/h2-3,5-6H,4,12H2,1H3,(H,13,14)
InChIKeyDZJPRJDPJKUHDJ-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.76
Rot. Bonds2

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

2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine (PubChem CID 143985988) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine
PubChem CID143985988
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine
SMILESCC(CN)c1c(F)ccc2[nH]cnc12
InChIInChI=1S/C10H12FN3/c1-6(4-12)9-7(11)2-3-8-10(9)14-5-13-8/h2-3,5-6H,4,12H2,1H3,(H,13,14)
InChIKeyDZJPRJDPJKUHDJ-UHFFFAOYSA-N
XLogP1.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine?
The IUPAC name of 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine (CID 143985988) is 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine is CC(CN)c1c(F)ccc2[nH]cnc12.
What is the InChIKey of 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine?
The InChIKey is DZJPRJDPJKUHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-6(4-12)9-7(11)2-3-8-10(9)14-5-13-8/h2-3,5-6H,4,12H2,1H3,(H,13,14).
What are the key properties of 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine?
2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine has a molecular weight of 193.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 143985988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).