2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline

C16H13BrFN3 — CID 107812783

IUPAC2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
SMILESNc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccc1Br
InChIInChI=1S/C16H13BrFN3/c17-12-5-1-9(7-13(12)19)16-20-14-8-10(18)2-6-15(14)21(16)11-3-4-11/h1-2,5-8,11H,3-4,19H2
InChIKeyCSENIVBLLJLOBB-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.52
Rot. Bonds2

About 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline

2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline (PubChem CID 107812783) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
PubChem CID107812783
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
SMILESNc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccc1Br
InChIInChI=1S/C16H13BrFN3/c17-12-5-1-9(7-13(12)19)16-20-14-8-10(18)2-6-15(14)21(16)11-3-4-11/h1-2,5-8,11H,3-4,19H2
InChIKeyCSENIVBLLJLOBB-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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Related Compounds

5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
2-bromo-5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 107812844
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324618
2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol
CID 60837055
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785646
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397633
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
2-bromo-4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473314
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline?
The IUPAC name of 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline (CID 107812783) is 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline?
The canonical SMILES for 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline is Nc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline?
The InChIKey is CSENIVBLLJLOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-12-5-1-9(7-13(12)19)16-20-14-8-10(18)2-6-15(14)21(16)11-3-4-11/h1-2,5-8,11H,3-4,19H2.
What are the key properties of 2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline?
2-bromo-5-(1-cyclopropyl-5-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-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline is sourced from PubChem (CID 107812783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).