5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline

C13H8BrF2N3 — CID 112556505

IUPAC5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1cc(Br)ccc1-c1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C13H8BrF2N3/c14-6-1-2-7(9(17)5-6)13-18-10-4-3-8(15)11(16)12(10)19-13/h1-5H,17H2,(H,18,19)
InChIKeyXLUUMBSZJPTXAV-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.85
Rot. Bonds1

About 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline

5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline (PubChem CID 112556505) has the molecular formula C13H8BrF2N3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
PubChem CID112556505
Molecular FormulaC13H8BrF2N3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1cc(Br)ccc1-c1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C13H8BrF2N3/c14-6-1-2-7(9(17)5-6)13-18-10-4-3-8(15)11(16)12(10)19-13/h1-5H,17H2,(H,18,19)
InChIKeyXLUUMBSZJPTXAV-UHFFFAOYSA-N
XLogP3.85
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
CID 112556664
2-amino-4-(4,5-difluoro-1H-benzimidazol-2-yl)phenol
CID 136872155
4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947294
6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine
CID 107953916
2-(4-bromo-2-chlorophenyl)-1H-benzimidazol-4-amine
CID 63695445
5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79816047

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline (CID 112556505) is 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline is Nc1cc(Br)ccc1-c1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline?
The InChIKey is XLUUMBSZJPTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3/c14-6-1-2-7(9(17)5-6)13-18-10-4-3-8(15)11(16)12(10)19-13/h1-5H,17H2,(H,18,19).
What are the key properties of 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline?
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline has a molecular weight of 324.13 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 112556505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).