1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine

C13H18FN3 — CID 103462884

IUPAC1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine
SMILESCCC(C)(C)Cn1c(N)nc2ccc(F)cc21
InChIInChI=1S/C13H18FN3/c1-4-13(2,3)8-17-11-7-9(14)5-6-10(11)16-12(17)15/h5-7H,4,8H2,1-3H3,(H2,15,16)
InChIKeyGHMZCEMEQHDDEB-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.19
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine

1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine (PubChem CID 103462884) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine
PubChem CID103462884
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine
SMILESCCC(C)(C)Cn1c(N)nc2ccc(F)cc21
InChIInChI=1S/C13H18FN3/c1-4-13(2,3)8-17-11-7-9(14)5-6-10(11)16-12(17)15/h5-7H,4,8H2,1-3H3,(H2,15,16)
InChIKeyGHMZCEMEQHDDEB-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine
CID 104828994
6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
CID 62378399
ethyl 3-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62376679
1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 58564987
1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
CID 62378397
6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine
CID 62376506
1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine
CID 83115717
6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 79757549
2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine
CID 79799093
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine (CID 103462884) is 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine is CCC(C)(C)Cn1c(N)nc2ccc(F)cc21.
What is the InChIKey of 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is GHMZCEMEQHDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-4-13(2,3)8-17-11-7-9(14)5-6-10(11)16-12(17)15/h5-7H,4,8H2,1-3H3,(H2,15,16).
What are the key properties of 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine?
1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 103462884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).