1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine

C13H8ClF2N3 — CID 115508622

IUPAC1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1ccccc1Cl
InChIInChI=1S/C13H8ClF2N3/c14-8-3-1-2-4-10(8)19-11-6-7(15)5-9(16)12(11)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyDIUOUTCJTBJKQV-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.54
Rot. Bonds1

About 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine

1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 115508622) has the molecular formula C13H8ClF2N3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
PubChem CID115508622
Molecular FormulaC13H8ClF2N3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1ccccc1Cl
InChIInChI=1S/C13H8ClF2N3/c14-8-3-1-2-4-10(8)19-11-6-7(15)5-9(16)12(11)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyDIUOUTCJTBJKQV-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643
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
1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508690
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
CID 107799605
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine (CID 115508622) is 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is DIUOUTCJTBJKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3/c14-8-3-1-2-4-10(8)19-11-6-7(15)5-9(16)12(11)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine?
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine has a molecular weight of 279.68 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 115508622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).