5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine

C17H26FN3 — CID 107816923

IUPAC5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CCCCCCC(C)C
InChIInChI=1S/C17H26FN3/c1-12(2)8-6-4-5-7-9-21-16-10-13(3)14(18)11-15(16)20-17(21)19/h10-12H,4-9H2,1-3H3,(H2,19,20)
InChIKeyGFZOIQWZQJWWRL-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.67
Rot. Bonds7

About 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine

5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine (PubChem CID 107816923) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
PubChem CID107816923
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CCCCCCC(C)C
InChIInChI=1S/C17H26FN3/c1-12(2)8-6-4-5-7-9-21-16-10-13(3)14(18)11-15(16)20-17(21)19/h10-12H,4-9H2,1-3H3,(H2,19,20)
InChIKeyGFZOIQWZQJWWRL-UHFFFAOYSA-N
XLogP4.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
CID 83003477
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 103593126
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932
5-fluoro-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419721
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine (CID 107816923) is 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2CCCCCCC(C)C.
What is the InChIKey of 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine?
The InChIKey is GFZOIQWZQJWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-12(2)8-6-4-5-7-9-21-16-10-13(3)14(18)11-15(16)20-17(21)19/h10-12H,4-9H2,1-3H3,(H2,19,20).
What are the key properties of 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine?
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine has a molecular weight of 291.41 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine is sourced from PubChem (CID 107816923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).