6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine

C16H15F2N3 — CID 103295041

IUPAC6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(C(C)Nc2nc3ccc(F)cc3[nH]2)cc1F
InChIInChI=1S/C16H15F2N3/c1-9-3-4-11(7-13(9)18)10(2)19-16-20-14-6-5-12(17)8-15(14)21-16/h3-8,10H,1-2H3,(H2,19,20,21)
InChIKeyWTLJKSNCBITYQA-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.32
Rot. Bonds3

About 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine

6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 103295041) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
PubChem CID103295041
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(C(C)Nc2nc3ccc(F)cc3[nH]2)cc1F
InChIInChI=1S/C16H15F2N3/c1-9-3-4-11(7-13(9)18)10(2)19-16-20-14-6-5-12(17)8-15(14)21-16/h3-8,10H,1-2H3,(H2,19,20,21)
InChIKeyWTLJKSNCBITYQA-UHFFFAOYSA-N
XLogP4.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
6-fluoro-N-(1-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294715
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
CID 82562713
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295085
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746343
6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026592
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448724
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine (CID 103295041) is 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine is Cc1ccc(C(C)Nc2nc3ccc(F)cc3[nH]2)cc1F.
What is the InChIKey of 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is WTLJKSNCBITYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-9-3-4-11(7-13(9)18)10(2)19-16-20-14-6-5-12(17)8-15(14)21-16/h3-8,10H,1-2H3,(H2,19,20,21).
What are the key properties of 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine?
6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 287.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).