1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine

C15H14FN3O2 — CID 62376839

IUPAC1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
SMILESCOc1cc(OC)cc(-n2c(N)nc3ccc(F)cc32)c1
InChIInChI=1S/C15H14FN3O2/c1-20-11-6-10(7-12(8-11)21-2)19-14-5-9(16)3-4-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyNFYDHTJXUTWAFB-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.76
Rot. Bonds3

About 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine

1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine (PubChem CID 62376839) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
PubChem CID62376839
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
SMILESCOc1cc(OC)cc(-n2c(N)nc3ccc(F)cc32)c1
InChIInChI=1S/C15H14FN3O2/c1-20-11-6-10(7-12(8-11)21-2)19-14-5-9(16)3-4-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyNFYDHTJXUTWAFB-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine (CID 62376839) is 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine is COc1cc(OC)cc(-n2c(N)nc3ccc(F)cc32)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is NFYDHTJXUTWAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-20-11-6-10(7-12(8-11)21-2)19-14-5-9(16)3-4-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine?
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 62376839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).