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

C13H8F3N3 — CID 61075406

IUPAC1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1-c1cccc(F)c1F
InChIInChI=1S/C13H8F3N3/c14-7-3-1-5-9(11(7)16)19-10-6-2-4-8(15)12(10)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyOWPMGSMQNVSYBD-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.03
Rot. Bonds1

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

1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine (PubChem CID 61075406) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
PubChem CID61075406
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1-c1cccc(F)c1F
InChIInChI=1S/C13H8F3N3/c14-7-3-1-5-9(11(7)16)19-10-6-2-4-8(15)12(10)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyOWPMGSMQNVSYBD-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 102806335
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
2-(2-chloroethyl)-1-(2,3-difluorophenyl)-4-fluorobenzimidazole
CID 61075587
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 107463913
1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine
CID 60789832
1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine
CID 81288933
2-amino-1-(2-cyano-3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718770
1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
CID 82859398

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine (CID 61075406) is 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine is Nc1nc2c(F)cccc2n1-c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine?
The InChIKey is OWPMGSMQNVSYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-7-3-1-5-9(11(7)16)19-10-6-2-4-8(15)12(10)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine?
1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine has a molecular weight of 263.22 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 61075406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).