1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine

C16H16FN3O — CID 63599291

IUPAC1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1ccc(C)c(C)c1
InChIInChI=1S/C16H16FN3O/c1-9-4-5-11(6-10(9)2)20-14-8-15(21-3)12(17)7-13(14)19-16(20)18/h4-8H,1-3H3,(H2,18,19)
InChIKeyQHBIPPDLLKUFMG-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.37
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine

1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine (PubChem CID 63599291) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
PubChem CID63599291
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1ccc(C)c(C)c1
InChIInChI=1S/C16H16FN3O/c1-9-4-5-11(6-10(9)2)20-14-8-15(21-3)12(17)7-13(14)19-16(20)18/h4-8H,1-3H3,(H2,18,19)
InChIKeyQHBIPPDLLKUFMG-UHFFFAOYSA-N
XLogP3.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine (CID 63599291) is 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2-c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The InChIKey is QHBIPPDLLKUFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9-4-5-11(6-10(9)2)20-14-8-15(21-3)12(17)7-13(14)19-16(20)18/h4-8H,1-3H3,(H2,18,19).
What are the key properties of 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine has a molecular weight of 285.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 63599291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).