3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine

C12H16FN3 — CID 79806891

IUPAC3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H16FN3/c1-3-12(14,4-2)11-15-9-7-5-6-8(13)10(9)16-11/h5-7H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyDXTBEAXIUAQPOI-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.68
Rot. Bonds3

About 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine

3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine (PubChem CID 79806891) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine
PubChem CID79806891
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H16FN3/c1-3-12(14,4-2)11-15-9-7-5-6-8(13)10(9)16-11/h5-7H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyDXTBEAXIUAQPOI-UHFFFAOYSA-N
XLogP2.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine?
The IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine (CID 79806891) is 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine.
What is the SMILES notation for 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine?
The canonical SMILES for 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine is CCC(N)(CC)c1nc2c(F)cccc2[nH]1.
What is the InChIKey of 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine?
The InChIKey is DXTBEAXIUAQPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-3-12(14,4-2)11-15-9-7-5-6-8(13)10(9)16-11/h5-7H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine?
3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine has a molecular weight of 221.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine is sourced from PubChem (CID 79806891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).