1-ethyl-5,6-difluorobenzimidazol-2-amine

C9H9F2N3 — CID 82359171

IUPAC1-ethyl-5,6-difluorobenzimidazol-2-amine
SMILESCCn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C9H9F2N3/c1-2-14-8-4-6(11)5(10)3-7(8)13-9(14)12/h3-4H,2H2,1H3,(H2,12,13)
InChIKeyDVEUKIWZWCRMLJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.92
Rot. Bonds1

About 1-ethyl-5,6-difluorobenzimidazol-2-amine

1-ethyl-5,6-difluorobenzimidazol-2-amine (PubChem CID 82359171) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-ethyl-5,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5,6-difluorobenzimidazol-2-amine
PubChem CID82359171
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1-ethyl-5,6-difluorobenzimidazol-2-amine
SMILESCCn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C9H9F2N3/c1-2-14-8-4-6(11)5(10)3-7(8)13-9(14)12/h3-4H,2H2,1H3,(H2,12,13)
InChIKeyDVEUKIWZWCRMLJ-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-ethyl-5,6-difluorobenzimidazol-2-amine (CID 82359171) is 1-ethyl-5,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-ethyl-5,6-difluorobenzimidazol-2-amine is CCn1c(N)nc2cc(F)c(F)cc21.
What is the InChIKey of 1-ethyl-5,6-difluorobenzimidazol-2-amine?
The InChIKey is DVEUKIWZWCRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-2-14-8-4-6(11)5(10)3-7(8)13-9(14)12/h3-4H,2H2,1H3,(H2,12,13).
What are the key properties of 1-ethyl-5,6-difluorobenzimidazol-2-amine?
1-ethyl-5,6-difluorobenzimidazol-2-amine has a molecular weight of 197.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 82359171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).