4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine

C13H9ClFN3 — CID 104836818

IUPAC4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1-c1cccc(F)c1
InChIInChI=1S/C13H9ClFN3/c14-10-5-2-6-11-12(10)17-13(16)18(11)9-4-1-3-8(15)7-9/h1-7H,(H2,16,17)
InChIKeyCRSRCYQXVJBHNN-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.40
Rot. Bonds1

About 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine

4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine (PubChem CID 104836818) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
PubChem CID104836818
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1-c1cccc(F)c1
InChIInChI=1S/C13H9ClFN3/c14-10-5-2-6-11-12(10)17-13(16)18(11)9-4-1-3-8(15)7-9/h1-7H,(H2,16,17)
InChIKeyCRSRCYQXVJBHNN-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

4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 104837243
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
CID 104836871
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
CID 104836835
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
CID 104837124
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine (CID 104836818) is 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1-c1cccc(F)c1.
What is the InChIKey of 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine?
The InChIKey is CRSRCYQXVJBHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-10-5-2-6-11-12(10)17-13(16)18(11)9-4-1-3-8(15)7-9/h1-7H,(H2,16,17).
What are the key properties of 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine?
4-chloro-1-(3-fluorophenyl)benzimidazol-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 4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 104836818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).