2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride

C15H16Cl2FN3 — CID 155971100

IUPAC2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nc2ccc(-c3ccccc3F)cc2[nH]1
InChIInChI=1S/C15H14FN3.2ClH/c16-12-4-2-1-3-11(12)10-5-6-13-14(9-10)19-15(18-13)7-8-17;;/h1-6,9H,7-8,17H2,(H,18,19);2*1H
InChIKeyPDXBMWMURCSMHK-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.71
Rot. Bonds3

About 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride

2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride (PubChem CID 155971100) has the molecular formula C15H16Cl2FN3 and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
PubChem CID155971100
Molecular FormulaC15H16Cl2FN3
Molecular Weight328.22 g/mol
Exact Mass327.07
IUPAC Name2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nc2ccc(-c3ccccc3F)cc2[nH]1
InChIInChI=1S/C15H14FN3.2ClH/c16-12-4-2-1-3-11(12)10-5-6-13-14(9-10)19-15(18-13)7-8-17;;/h1-6,9H,7-8,17H2,(H,18,19);2*1H
InChIKeyPDXBMWMURCSMHK-UHFFFAOYSA-N
XLogP3.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
CID 145044312
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-(2-ethyl-3H-benzimidazol-5-yl)aniline
CID 58381174
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
[6-(2-fluorophenyl)quinolin-2-yl]methanamine
CID 150456453
2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82282888
2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole
CID 66841194
3-tert-butyl-5-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]-4-methyl-1,2-oxazole;hydrochloride
CID 157251459
2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
CID 82305556

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride (CID 155971100) is 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride is Cl.Cl.NCCc1nc2ccc(-c3ccccc3F)cc2[nH]1.
What is the InChIKey of 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The InChIKey is PDXBMWMURCSMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3.2ClH/c16-12-4-2-1-3-11(12)10-5-6-13-14(9-10)19-15(18-13)7-8-17;;/h1-6,9H,7-8,17H2,(H,18,19);2*1H.
What are the key properties of 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride has a molecular weight of 328.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 155971100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).