4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine

C10H8ClF4N3 — CID 106294645

IUPAC4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1CC(F)(F)C(F)F
InChIInChI=1S/C10H8ClF4N3/c11-5-2-1-3-6-7(5)17-9(16)18(6)4-10(14,15)8(12)13/h1-3,8H,4H2,(H2,16,17)
InChIKeyUBCLVXDJVFYQHN-UHFFFAOYSA-N
MW281.64 g/mol
LogP3.17
Rot. Bonds3

About 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine

4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine (PubChem CID 106294645) has the molecular formula C10H8ClF4N3 and a molecular weight of 281.64 g/mol. Its IUPAC name is 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
PubChem CID106294645
Molecular FormulaC10H8ClF4N3
Molecular Weight281.64 g/mol
Exact Mass281.03
IUPAC Name4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1CC(F)(F)C(F)F
InChIInChI=1S/C10H8ClF4N3/c11-5-2-1-3-6-7(5)17-9(16)18(6)4-10(14,15)8(12)13/h1-3,8H,4H2,(H2,16,17)
InChIKeyUBCLVXDJVFYQHN-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.64
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
CID 104837124
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
2-(chloromethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole-4-carbonitrile
CID 106295026
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine (CID 106294645) is 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1CC(F)(F)C(F)F.
What is the InChIKey of 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine?
The InChIKey is UBCLVXDJVFYQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4N3/c11-5-2-1-3-6-7(5)17-9(16)18(6)4-10(14,15)8(12)13/h1-3,8H,4H2,(H2,16,17).
What are the key properties of 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine?
4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine has a molecular weight of 281.64 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine is sourced from PubChem (CID 106294645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).