6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine

C12H14FN3O — CID 114119889

IUPAC6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine
SMILESCOC1CC(n2c(N)nc3ccc(F)cc32)C1
InChIInChI=1S/C12H14FN3O/c1-17-9-5-8(6-9)16-11-4-7(13)2-3-10(11)15-12(16)14/h2-4,8-9H,5-6H2,1H3,(H2,14,15)
InChIKeyPGVDDWWKOZLQQI-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.11
Rot. Bonds2

About 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine

6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine (PubChem CID 114119889) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine
PubChem CID114119889
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine
SMILESCOC1CC(n2c(N)nc3ccc(F)cc32)C1
InChIInChI=1S/C12H14FN3O/c1-17-9-5-8(6-9)16-11-4-7(13)2-3-10(11)15-12(16)14/h2-4,8-9H,5-6H2,1H3,(H2,14,15)
InChIKeyPGVDDWWKOZLQQI-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine
CID 55068116
1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine
CID 83028668
6-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720770
3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 114119894
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
CID 170911669
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64732903
6-fluoro-3-(3-methoxycyclobutyl)-1H-benzimidazole-2-thione
CID 114119771
[(3R,4R)-4-(2-amino-6-fluorobenzimidazol-1-yl)piperidin-3-yl] acetate
CID 131740639
[(3S)-4-(2-amino-6-fluorobenzimidazol-1-yl)piperidin-3-yl] acetate
CID 89475241
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
CID 62378467

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine (CID 114119889) is 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine is COC1CC(n2c(N)nc3ccc(F)cc32)C1.
What is the InChIKey of 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine?
The InChIKey is PGVDDWWKOZLQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-17-9-5-8(6-9)16-11-4-7(13)2-3-10(11)15-12(16)14/h2-4,8-9H,5-6H2,1H3,(H2,14,15).
What are the key properties of 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine?
6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine has a molecular weight of 235.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(3-methoxycyclobutyl)benzimidazol-2-amine is sourced from PubChem (CID 114119889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).