1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine

C13H8Cl2FN3 — CID 60790457

IUPAC1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2FN3/c14-8-5-4-7(6-9(8)15)19-11-3-1-2-10(16)12(11)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyFSNRSDBCBWDGKM-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.05
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine

1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine (PubChem CID 60790457) has the molecular formula C13H8Cl2FN3 and a molecular weight of 296.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
PubChem CID60790457
Molecular FormulaC13H8Cl2FN3
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2FN3/c14-8-5-4-7(6-9(8)15)19-11-3-1-2-10(16)12(11)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyFSNRSDBCBWDGKM-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-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
CID 61075406
1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
CID 82859398
1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine
CID 60789832
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
2-amino-1-(3-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718938
2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
CID 104718691
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine (CID 60790457) is 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine is Nc1nc2c(F)cccc2n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine?
The InChIKey is FSNRSDBCBWDGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3/c14-8-5-4-7(6-9(8)15)19-11-3-1-2-10(16)12(11)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine?
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-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 1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 60790457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).