5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine

C16H15F2N3 — CID 103592825

IUPAC5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C(C)c1cccc(F)c1
InChIInChI=1S/C16H15F2N3/c1-9-6-15-14(8-13(9)18)20-16(19)21(15)10(2)11-4-3-5-12(17)7-11/h3-8,10H,1-2H3,(H2,19,20)
InChIKeyOWQBHQOLJYMFET-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.81
Rot. Bonds2

About 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine

5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine (PubChem CID 103592825) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine
PubChem CID103592825
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C(C)c1cccc(F)c1
InChIInChI=1S/C16H15F2N3/c1-9-6-15-14(8-13(9)18)20-16(19)21(15)10(2)11-4-3-5-12(17)7-11/h3-8,10H,1-2H3,(H2,19,20)
InChIKeyOWQBHQOLJYMFET-UHFFFAOYSA-N
XLogP3.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 103592746
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
CID 103593292
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine
CID 116738194
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 43662111
2-amino-3-[1-(4-fluorophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714906
5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 103593126

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine (CID 103592825) is 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2C(C)c1cccc(F)c1.
What is the InChIKey of 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine?
The InChIKey is OWQBHQOLJYMFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-9-6-15-14(8-13(9)18)20-16(19)21(15)10(2)11-4-3-5-12(17)7-11/h3-8,10H,1-2H3,(H2,19,20).
What are the key properties of 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine?
5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine has a molecular weight of 287.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).