5,6-difluoro-1-methylbenzimidazol-2-amine

C8H7F2N3 — CID 82359172

IUPAC5,6-difluoro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C8H7F2N3/c1-13-7-3-5(10)4(9)2-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12)
InChIKeyLUACXFZWJXVHGT-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.43
Rot. Bonds

About 5,6-difluoro-1-methylbenzimidazol-2-amine

5,6-difluoro-1-methylbenzimidazol-2-amine (PubChem CID 82359172) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5,6-difluoro-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5,6-difluoro-1-methylbenzimidazol-2-amine
PubChem CID82359172
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name5,6-difluoro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C8H7F2N3/c1-13-7-3-5(10)4(9)2-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12)
InChIKeyLUACXFZWJXVHGT-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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Related Compounds

1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
CID 72710310
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
6-ethyl-1-methylbenzimidazol-2-amine
CID 84618336
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82359205
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
CID 69449777
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 82359124
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-methylbenzimidazol-2-amine?
The IUPAC name of 5,6-difluoro-1-methylbenzimidazol-2-amine (CID 82359172) is 5,6-difluoro-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 5,6-difluoro-1-methylbenzimidazol-2-amine?
The canonical SMILES for 5,6-difluoro-1-methylbenzimidazol-2-amine is Cn1c(N)nc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-methylbenzimidazol-2-amine?
The InChIKey is LUACXFZWJXVHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c1-13-7-3-5(10)4(9)2-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12).
What are the key properties of 5,6-difluoro-1-methylbenzimidazol-2-amine?
5,6-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 5,6-difluoro-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 82359172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).