2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride

C10H14Cl2FN5 — CID 45357279

IUPAC2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H12FN5.2ClH/c11-6-1-2-7-8(5-6)16-9(15-7)3-4-14-10(12)13;;/h1-2,5H,3-4H2,(H,15,16)(H4,12,13,14);2*1H
InChIKeyWRHHLHRYJGOHHY-UHFFFAOYSA-N
MW294.16 g/mol
LogP1.36
Rot. Bonds3

About 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride

2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride (PubChem CID 45357279) has the molecular formula C10H14Cl2FN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride
PubChem CID45357279
Molecular FormulaC10H14Cl2FN5
Molecular Weight294.16 g/mol
Exact Mass293.06
IUPAC Name2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H12FN5.2ClH/c11-6-1-2-7-8(5-6)16-9(15-7)3-4-14-10(12)13;;/h1-2,5H,3-4H2,(H,15,16)(H4,12,13,14);2*1H
InChIKeyWRHHLHRYJGOHHY-UHFFFAOYSA-N
XLogP1.36
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide;dihydrochloride
CID 131875532
2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
CID 82305556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride?
The IUPAC name of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride (CID 45357279) is 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride?
The canonical SMILES for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride is Cl.Cl.NC(N)=NCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride?
The InChIKey is WRHHLHRYJGOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5.2ClH/c11-6-1-2-7-8(5-6)16-9(15-7)3-4-14-10(12)13;;/h1-2,5H,3-4H2,(H,15,16)(H4,12,13,14);2*1H.
What are the key properties of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride?
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride has a molecular weight of 294.16 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride is sourced from PubChem (CID 45357279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).