7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine

C13H7Cl3FN3 — CID 107575892

IUPAC7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C13H7Cl3FN3/c14-7-2-1-3-10-12(7)20(13(18)19-10)6-4-8(15)11(17)9(16)5-6/h1-5H,(H2,18,19)
InChIKeyXEUZVEDQSIPTRN-UHFFFAOYSA-N
MW330.58 g/mol
LogP4.71
Rot. Bonds1

About 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine

7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine (PubChem CID 107575892) has the molecular formula C13H7Cl3FN3 and a molecular weight of 330.58 g/mol. Its IUPAC name is 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
PubChem CID107575892
Molecular FormulaC13H7Cl3FN3
Molecular Weight330.58 g/mol
Exact Mass328.97
IUPAC Name7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C13H7Cl3FN3/c14-7-2-1-3-10-12(7)20(13(18)19-10)6-4-8(15)11(17)9(16)5-6/h1-5H,(H2,18,19)
InChIKeyXEUZVEDQSIPTRN-UHFFFAOYSA-N
XLogP4.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-(3-methylsulfanylphenyl)benzimidazol-2-amine
CID 43661717
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
7-chloro-1-(2,3-dichlorophenyl)benzimidazol-2-amine
CID 43661869
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine
CID 107575900
1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
CID 107791619
7-chlorobenzimidazole-1,2-diamine
CID 84618531
1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 62532885
7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine
CID 102806317
7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940
1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine (CID 107575892) is 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1-c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine?
The InChIKey is XEUZVEDQSIPTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FN3/c14-7-2-1-3-10-12(7)20(13(18)19-10)6-4-8(15)11(17)9(16)5-6/h1-5H,(H2,18,19).
What are the key properties of 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine?
7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine has a molecular weight of 330.58 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 107575892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).