2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline

C14H10Br2FN3 — CID 63111708

IUPAC2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
SMILESCn1c(-c2cc(Br)cc(Br)c2N)nc2c(F)cccc21
InChIInChI=1S/C14H10Br2FN3/c1-20-11-4-2-3-10(17)13(11)19-14(20)8-5-7(15)6-9(16)12(8)18/h2-6H,18H2,1H3
InChIKeyQNHHNKGTKPSBOT-UHFFFAOYSA-N
MW399.06 g/mol
LogP4.49
Rot. Bonds1

About 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline

2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline (PubChem CID 63111708) has the molecular formula C14H10Br2FN3 and a molecular weight of 399.06 g/mol. Its IUPAC name is 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
PubChem CID63111708
Molecular FormulaC14H10Br2FN3
Molecular Weight399.06 g/mol
Exact Mass396.92
IUPAC Name2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
SMILESCn1c(-c2cc(Br)cc(Br)c2N)nc2c(F)cccc21
InChIInChI=1S/C14H10Br2FN3/c1-20-11-4-2-3-10(17)13(11)19-14(20)8-5-7(15)6-9(16)12(8)18/h2-6H,18H2,1H3
InChIKeyQNHHNKGTKPSBOT-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.06
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline (CID 63111708) is 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline is Cn1c(-c2cc(Br)cc(Br)c2N)nc2c(F)cccc21.
What is the InChIKey of 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline?
The InChIKey is QNHHNKGTKPSBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FN3/c1-20-11-4-2-3-10(17)13(11)19-14(20)8-5-7(15)6-9(16)12(8)18/h2-6H,18H2,1H3.
What are the key properties of 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline?
2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline has a molecular weight of 399.06 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 63111708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).