2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline

C16H13BrFN3 — CID 63112874

IUPAC2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
SMILESNc1c(Br)cccc1-c1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C16H13BrFN3/c17-11-4-1-3-10(14(11)19)16-20-15-12(18)5-2-6-13(15)21(16)9-7-8-9/h1-6,9H,7-8,19H2
InChIKeyPRKLDGHWCMEWHT-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.52
Rot. Bonds2

About 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline

2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline (PubChem CID 63112874) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
PubChem CID63112874
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
SMILESNc1c(Br)cccc1-c1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C16H13BrFN3/c17-11-4-1-3-10(14(11)19)16-20-15-12(18)5-2-6-13(15)21(16)9-7-8-9/h1-6,9H,7-8,19H2
InChIKeyPRKLDGHWCMEWHT-UHFFFAOYSA-N
XLogP4.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.52
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-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline?
The IUPAC name of 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline (CID 63112874) is 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline?
The canonical SMILES for 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline is Nc1c(Br)cccc1-c1nc2c(F)cccc2n1C1CC1.
What is the InChIKey of 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline?
The InChIKey is PRKLDGHWCMEWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-11-4-1-3-10(14(11)19)16-20-15-12(18)5-2-6-13(15)21(16)9-7-8-9/h1-6,9H,7-8,19H2.
What are the key properties of 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline?
2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline has a molecular weight of 346.20 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline is sourced from PubChem (CID 63112874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).