7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine

C13H8Cl2FN3 — CID 43662097

IUPAC7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1-c1cc(Cl)ccc1F
InChIInChI=1S/C13H8Cl2FN3/c14-7-4-5-9(16)11(6-7)19-12-8(15)2-1-3-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyYTWQUDROBMOTPD-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.05
Rot. Bonds1

About 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine

7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine (PubChem CID 43662097) has the molecular formula C13H8Cl2FN3 and a molecular weight of 296.13 g/mol. Its IUPAC name is 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
PubChem CID43662097
Molecular FormulaC13H8Cl2FN3
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1-c1cc(Cl)ccc1F
InChIInChI=1S/C13H8Cl2FN3/c14-7-4-5-9(16)11(6-7)19-12-8(15)2-1-3-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyYTWQUDROBMOTPD-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
7-chloro-1-(2,3-dichlorophenyl)benzimidazol-2-amine
CID 43661869
7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
CID 107575892
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
CID 107791619
7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine
CID 102806317
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
7-chloro-1-(3-methylsulfanylphenyl)benzimidazol-2-amine
CID 43661717
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
7-chlorobenzimidazole-1,2-diamine
CID 84618531

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine (CID 43662097) is 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1-c1cc(Cl)ccc1F.
What is the InChIKey of 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine?
The InChIKey is YTWQUDROBMOTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3/c14-7-4-5-9(16)11(6-7)19-12-8(15)2-1-3-10(12)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine?
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine has a molecular weight of 296.13 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 43662097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).