4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline

C13H9Cl2N3 — CID 15541801

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
SMILESNc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C13H9Cl2N3/c14-9-5-11-12(6-10(9)15)18-13(17-11)7-1-3-8(16)4-2-7/h1-6H,16H2,(H,17,18)
InChIKeyOBZWACQMTOBFSX-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.12
Rot. Bonds1

About 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline

4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline (PubChem CID 15541801) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
PubChem CID15541801
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
SMILESNc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C13H9Cl2N3/c14-9-5-11-12(6-10(9)15)18-13(17-11)7-1-3-8(16)4-2-7/h1-6H,16H2,(H,17,18)
InChIKeyOBZWACQMTOBFSX-UHFFFAOYSA-N
XLogP4.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.12
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 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline (CID 15541801) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline is Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline?
The InChIKey is OBZWACQMTOBFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-9-5-11-12(6-10(9)15)18-13(17-11)7-1-3-8(16)4-2-7/h1-6H,16H2,(H,17,18).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline?
4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline has a molecular weight of 278.14 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 15541801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).