6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine

C14H11F2N3O — CID 62531537

IUPAC6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3ccc(F)c(F)c32)c1
InChIInChI=1S/C14H11F2N3O/c1-20-9-4-2-3-8(7-9)19-13-11(18-14(19)17)6-5-10(15)12(13)16/h2-7H,1H3,(H2,17,18)
InChIKeyIZOWTLUTEHNIET-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.89
Rot. Bonds2

About 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine

6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine (PubChem CID 62531537) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
PubChem CID62531537
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3ccc(F)c(F)c32)c1
InChIInChI=1S/C14H11F2N3O/c1-20-9-4-2-3-8(7-9)19-13-11(18-14(19)17)6-5-10(15)12(13)16/h2-7H,1H3,(H2,17,18)
InChIKeyIZOWTLUTEHNIET-UHFFFAOYSA-N
XLogP2.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine (CID 62531537) is 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine is COc1cccc(-n2c(N)nc3ccc(F)c(F)c32)c1.
What is the InChIKey of 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is IZOWTLUTEHNIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-20-9-4-2-3-8(7-9)19-13-11(18-14(19)17)6-5-10(15)12(13)16/h2-7H,1H3,(H2,17,18).
What are the key properties of 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine?
6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine has a molecular weight of 275.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 62531537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).