2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline

C13H8ClF2N3 — CID 107049774

IUPAC2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1c(Cl)cccc1-c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C13H8ClF2N3/c14-7-3-1-2-6(12(7)17)13-18-10-4-8(15)9(16)5-11(10)19-13/h1-5H,17H2,(H,18,19)
InChIKeyAVIPMBIIGJHXAZ-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.74
Rot. Bonds1

About 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline

2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline (PubChem CID 107049774) has the molecular formula C13H8ClF2N3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
PubChem CID107049774
Molecular FormulaC13H8ClF2N3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1c(Cl)cccc1-c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C13H8ClF2N3/c14-7-3-1-2-6(12(7)17)13-18-10-4-8(15)9(16)5-11(10)19-13/h1-5H,17H2,(H,18,19)
InChIKeyAVIPMBIIGJHXAZ-UHFFFAOYSA-N
XLogP3.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.74
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-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
CID 82772918
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 79630922
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 43470869
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
5-(5,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline (CID 107049774) is 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline is Nc1c(Cl)cccc1-c1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline?
The InChIKey is AVIPMBIIGJHXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3/c14-7-3-1-2-6(12(7)17)13-18-10-4-8(15)9(16)5-11(10)19-13/h1-5H,17H2,(H,18,19).
What are the key properties of 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline?
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline has a molecular weight of 279.68 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 107049774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).