6,7-difluoro-1-methylbenzimidazol-2-amine

C8H7F2N3 — CID 62532542

IUPAC6,7-difluoro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C8H7F2N3/c1-13-7-5(12-8(13)11)3-2-4(9)6(7)10/h2-3H,1H3,(H2,11,12)
InChIKeyPDGNORYIQXUDRG-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.43
Rot. Bonds

About 6,7-difluoro-1-methylbenzimidazol-2-amine

6,7-difluoro-1-methylbenzimidazol-2-amine (PubChem CID 62532542) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 6,7-difluoro-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-methylbenzimidazol-2-amine
PubChem CID62532542
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name6,7-difluoro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C8H7F2N3/c1-13-7-5(12-8(13)11)3-2-4(9)6(7)10/h2-3H,1H3,(H2,11,12)
InChIKeyPDGNORYIQXUDRG-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-methylbenzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-methylbenzimidazol-2-amine (CID 62532542) is 6,7-difluoro-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-methylbenzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-methylbenzimidazol-2-amine is Cn1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-methylbenzimidazol-2-amine?
The InChIKey is PDGNORYIQXUDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c1-13-7-5(12-8(13)11)3-2-4(9)6(7)10/h2-3H,1H3,(H2,11,12).
What are the key properties of 6,7-difluoro-1-methylbenzimidazol-2-amine?
6,7-difluoro-1-methylbenzimidazol-2-amine has a molecular weight of 183.16 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 62532542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).