2-(6-chloro-1H-benzimidazol-2-yl)aniline

C13H10ClN3 — CID 14043270

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)aniline
SMILESNc1ccccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C13H10ClN3/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H,15H2,(H,16,17)
InChIKeyCWVOGEATHKXBNE-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.47
Rot. Bonds1

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

2-(6-chloro-1H-benzimidazol-2-yl)aniline (PubChem CID 14043270) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)aniline
PubChem CID14043270
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)aniline
SMILESNc1ccccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C13H10ClN3/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H,15H2,(H,16,17)
InChIKeyCWVOGEATHKXBNE-UHFFFAOYSA-N
XLogP3.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(6-chloro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)aniline (CID 14043270) is 2-(6-chloro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)aniline is Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)aniline?
The InChIKey is CWVOGEATHKXBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H,15H2,(H,16,17).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)aniline?
2-(6-chloro-1H-benzimidazol-2-yl)aniline has a molecular weight of 243.70 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 14043270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).