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

C13H8Cl3N3 — CID 82001058

IUPAC3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
SMILESNc1cccc(Cl)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H8Cl3N3/c14-6-2-1-3-9(17)12(6)13-18-10-4-7(15)8(16)5-11(10)19-13/h1-5H,17H2,(H,18,19)
InChIKeyVEGOVOPXHUATJG-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.77
Rot. Bonds1

About 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline

3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline (PubChem CID 82001058) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
PubChem CID82001058
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
SMILESNc1cccc(Cl)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H8Cl3N3/c14-6-2-1-3-9(17)12(6)13-18-10-4-7(15)8(16)5-11(10)19-13/h1-5H,17H2,(H,18,19)
InChIKeyVEGOVOPXHUATJG-UHFFFAOYSA-N
XLogP4.77
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.77
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

6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001599
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82946597
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-3-methylaniline
CID 79631596
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline (CID 82001058) is 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline is Nc1cccc(Cl)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline?
The InChIKey is VEGOVOPXHUATJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c14-6-2-1-3-9(17)12(6)13-18-10-4-7(15)8(16)5-11(10)19-13/h1-5H,17H2,(H,18,19).
What are the key properties of 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline?
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline has a molecular weight of 312.59 g/mol, XLogP of 4.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 82001058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).