1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine

C13H9ClFN3 — CID 60789713

IUPAC1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1-c1ccccc1Cl
InChIInChI=1S/C13H9ClFN3/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)17-13(18)16/h1-7H,(H2,16,17)
InChIKeySLFKSBMJHKRDQN-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.40
Rot. Bonds1

About 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine

1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine (PubChem CID 60789713) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
PubChem CID60789713
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1-c1ccccc1Cl
InChIInChI=1S/C13H9ClFN3/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)17-13(18)16/h1-7H,(H2,16,17)
InChIKeySLFKSBMJHKRDQN-UHFFFAOYSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
CID 61075406
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
CID 104836871
1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 102806335
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 104837243
1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 107463913

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine (CID 60789713) is 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine is Nc1nc2c(F)cccc2n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine?
The InChIKey is SLFKSBMJHKRDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)17-13(18)16/h1-7H,(H2,16,17).
What are the key properties of 1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine?
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine has a molecular weight of 261.69 g/mol, XLogP of 3.40, 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-fluorobenzimidazol-2-amine is sourced from PubChem (CID 60789713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).