1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine

C13H18FN3 — CID 104828994

IUPAC1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine
SMILESCC(n1c(N)nc2ccc(F)cc21)C(C)(C)C
InChIInChI=1S/C13H18FN3/c1-8(13(2,3)4)17-11-7-9(14)5-6-10(11)16-12(17)15/h5-8H,1-4H3,(H2,15,16)
InChIKeyCXNLQBIGNGGIJY-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.36
Rot. Bonds1

About 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine

1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine (PubChem CID 104828994) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine
PubChem CID104828994
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine
SMILESCC(n1c(N)nc2ccc(F)cc21)C(C)(C)C
InChIInChI=1S/C13H18FN3/c1-8(13(2,3)4)17-11-7-9(14)5-6-10(11)16-12(17)15/h5-8H,1-4H3,(H2,15,16)
InChIKeyCXNLQBIGNGGIJY-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-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

1-(3,3-dimethylbutan-2-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 104829013
2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazole
CID 113457934
1-(3,3-dimethylbutan-2-yl)-6-(2-phenylethynyl)benzimidazol-2-amine
CID 66868796
6-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 62377363
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62377357
1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine
CID 103462884
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
6-fluoro-1-(3-methoxy-2-methylpropyl)benzimidazol-2-amine
CID 62376506
2-amino-3-[1-(4-fluorophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714906
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 58564987
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine (CID 104828994) is 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine is CC(n1c(N)nc2ccc(F)cc21)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine?
The InChIKey is CXNLQBIGNGGIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-8(13(2,3)4)17-11-7-9(14)5-6-10(11)16-12(17)15/h5-8H,1-4H3,(H2,15,16).
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine?
1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 104828994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).