1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine

C13H7Cl2F2N3 — CID 115508632

IUPAC1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2F2N3/c14-7-2-1-3-9(11(7)15)20-10-5-6(16)4-8(17)12(10)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyPRQBECJWCNJRKL-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.19
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine

1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 115508632) has the molecular formula C13H7Cl2F2N3 and a molecular weight of 314.12 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
PubChem CID115508632
Molecular FormulaC13H7Cl2F2N3
Molecular Weight314.12 g/mol
Exact Mass313.00
IUPAC Name1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2F2N3/c14-7-2-1-3-9(11(7)15)20-10-5-6(16)4-8(17)12(10)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyPRQBECJWCNJRKL-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508680
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136
1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508690
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
CID 104836871

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine (CID 115508632) is 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is PRQBECJWCNJRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2N3/c14-7-2-1-3-9(11(7)15)20-10-5-6(16)4-8(17)12(10)19-13(20)18/h1-5H,(H2,18,19).
What are the key properties of 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine?
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine has a molecular weight of 314.12 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 115508632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).