N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine

C13H10F2N4 — CID 20828301

IUPACN-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2cc(F)cc(F)n2)nc2ccccc21
InChIInChI=1S/C13H10F2N4/c1-19-10-5-3-2-4-9(10)16-13(19)18-12-7-8(14)6-11(15)17-12/h2-7H,1H3,(H,16,17,18)
InChIKeyRERRSKFOWRRDIA-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.99
Rot. Bonds2

About N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine

N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine (PubChem CID 20828301) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine
PubChem CID20828301
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2cc(F)cc(F)n2)nc2ccccc21
InChIInChI=1S/C13H10F2N4/c1-19-10-5-3-2-4-9(10)16-13(19)18-12-7-8(14)6-11(15)17-12/h2-7H,1H3,(H,16,17,18)
InChIKeyRERRSKFOWRRDIA-UHFFFAOYSA-N
XLogP2.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine (CID 20828301) is N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine is Cn1c(Nc2cc(F)cc(F)n2)nc2ccccc21.
What is the InChIKey of N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine?
The InChIKey is RERRSKFOWRRDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c1-19-10-5-3-2-4-9(10)16-13(19)18-12-7-8(14)6-11(15)17-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine?
N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine has a molecular weight of 260.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 20828301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).