4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine

C13H8Cl3N3 — CID 104836871

IUPAC4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N3/c14-7-4-5-10(9(16)6-7)19-11-3-1-2-8(15)12(11)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyMOEVZTDQDLUSGJ-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.57
Rot. Bonds1

About 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine

4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine (PubChem CID 104836871) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
PubChem CID104836871
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N3/c14-7-4-5-10(9(16)6-7)19-11-3-1-2-8(15)12(11)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyMOEVZTDQDLUSGJ-UHFFFAOYSA-N
XLogP4.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791668
4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 104837243
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
CID 107637356
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine (CID 104836871) is 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine?
The InChIKey is MOEVZTDQDLUSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c14-7-4-5-10(9(16)6-7)19-11-3-1-2-8(15)12(11)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine?
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine has a molecular weight of 312.59 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 104836871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).