4-fluoro-1-octan-2-ylbenzimidazol-2-amine

C15H22FN3 — CID 61480445

IUPAC4-fluoro-1-octan-2-ylbenzimidazol-2-amine
SMILESCCCCCCC(C)n1c(N)nc2c(F)cccc21
InChIInChI=1S/C15H22FN3/c1-3-4-5-6-8-11(2)19-13-10-7-9-12(16)14(13)18-15(19)17/h7,9-11H,3-6,8H2,1-2H3,(H2,17,18)
InChIKeyQSBSLXRUXFMXPS-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.29
Rot. Bonds6

About 4-fluoro-1-octan-2-ylbenzimidazol-2-amine

4-fluoro-1-octan-2-ylbenzimidazol-2-amine (PubChem CID 61480445) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-fluoro-1-octan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-octan-2-ylbenzimidazol-2-amine
PubChem CID61480445
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name4-fluoro-1-octan-2-ylbenzimidazol-2-amine
SMILESCCCCCCC(C)n1c(N)nc2c(F)cccc21
InChIInChI=1S/C15H22FN3/c1-3-4-5-6-8-11(2)19-13-10-7-9-12(16)14(13)18-15(19)17/h7,9-11H,3-6,8H2,1-2H3,(H2,17,18)
InChIKeyQSBSLXRUXFMXPS-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.29
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

4-chloro-1-octan-2-ylbenzimidazol-2-amine
CID 104836976
4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932
4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine
CID 63292479
6-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 62377363
2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 54950785
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
2-(chloromethyl)-1-octan-2-ylbenzimidazole-4-carbonitrile
CID 104719500
1-butan-2-yl-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 60790347
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819
7-fluoro-3-hexan-2-yl-1H-benzimidazole-2-thione
CID 63545490

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-octan-2-ylbenzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-octan-2-ylbenzimidazol-2-amine (CID 61480445) is 4-fluoro-1-octan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-octan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-octan-2-ylbenzimidazol-2-amine is CCCCCCC(C)n1c(N)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-octan-2-ylbenzimidazol-2-amine?
The InChIKey is QSBSLXRUXFMXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-3-4-5-6-8-11(2)19-13-10-7-9-12(16)14(13)18-15(19)17/h7,9-11H,3-6,8H2,1-2H3,(H2,17,18).
What are the key properties of 4-fluoro-1-octan-2-ylbenzimidazol-2-amine?
4-fluoro-1-octan-2-ylbenzimidazol-2-amine has a molecular weight of 263.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-octan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 61480445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).