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

C13H8ClF2N3 — CID 112556458

IUPAC2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccc1Cl
InChIInChI=1S/C13H8ClF2N3/c14-7-2-1-6(5-9(7)17)13-18-10-4-3-8(15)11(16)12(10)19-13/h1-5H,17H2,(H,18,19)
InChIKeyQXNHNGGOSGZABV-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.74
Rot. Bonds1

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

2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline (PubChem CID 112556458) has the molecular formula C13H8ClF2N3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
PubChem CID112556458
Molecular FormulaC13H8ClF2N3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccc1Cl
InChIInChI=1S/C13H8ClF2N3/c14-7-2-1-6(5-9(7)17)13-18-10-4-3-8(15)11(16)12(10)19-13/h1-5H,17H2,(H,18,19)
InChIKeyQXNHNGGOSGZABV-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-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
2-amino-4-(4,5-difluoro-1H-benzimidazol-2-yl)phenol
CID 136872155
2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
CID 112556664
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892
[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
CID 112556560
2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine
CID 171780777
2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 115911844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline (CID 112556458) is 2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline is Nc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline?
The InChIKey is QXNHNGGOSGZABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3/c14-7-2-1-6(5-9(7)17)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 2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline?
2-chloro-5-(4,5-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-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 112556458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).