2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine

C9H10FN3 — CID 16767401

IUPAC2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
SMILESNCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C9H10FN3/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyDXRBTOABNFRJTK-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.20
Rot. Bonds2

About 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine

2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine (PubChem CID 16767401) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
PubChem CID16767401
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
SMILESNCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C9H10FN3/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyDXRBTOABNFRJTK-UHFFFAOYSA-N
XLogP1.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
CID 145044312
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride
CID 45357279
2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
CID 82305556
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 155971100
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920
2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82282888
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine (CID 16767401) is 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine is NCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is DXRBTOABNFRJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine?
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 179.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 16767401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).