6-fluoro-1-hexan-2-ylbenzimidazol-2-amine

C13H18FN3 — CID 62377363

IUPAC6-fluoro-1-hexan-2-ylbenzimidazol-2-amine
SMILESCCCCC(C)n1c(N)nc2ccc(F)cc21
InChIInChI=1S/C13H18FN3/c1-3-4-5-9(2)17-12-8-10(14)6-7-11(12)16-13(17)15/h6-9H,3-5H2,1-2H3,(H2,15,16)
InChIKeyQPZXXAAKIBHDRC-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.51
Rot. Bonds4

About 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine

6-fluoro-1-hexan-2-ylbenzimidazol-2-amine (PubChem CID 62377363) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-hexan-2-ylbenzimidazol-2-amine
PubChem CID62377363
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name6-fluoro-1-hexan-2-ylbenzimidazol-2-amine
SMILESCCCCC(C)n1c(N)nc2ccc(F)cc21
InChIInChI=1S/C13H18FN3/c1-3-4-5-9(2)17-12-8-10(14)6-7-11(12)16-13(17)15/h6-9H,3-5H2,1-2H3,(H2,15,16)
InChIKeyQPZXXAAKIBHDRC-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hexan-2-ylbenzimidazole-5-carbonitrile
CID 104714994
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine
CID 104828994
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62377357
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215
2-(2-chloroethyl)-6-fluoro-1-(6-methylheptan-2-yl)benzimidazole
CID 63547183
4-fluoro-1-octan-2-ylbenzimidazol-2-amine
CID 61480445
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750
2-(2-chloroethyl)-5-fluoro-1-octan-2-ylbenzimidazole
CID 63546138
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine (CID 62377363) is 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine is CCCCC(C)n1c(N)nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine?
The InChIKey is QPZXXAAKIBHDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-3-4-5-9(2)17-12-8-10(14)6-7-11(12)16-13(17)15/h6-9H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine?
6-fluoro-1-hexan-2-ylbenzimidazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-hexan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 62377363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).