1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine

C16H15F2N3 — CID 62506849

IUPAC1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1-c1c(F)cccc1F
InChIInChI=1S/C16H15F2N3/c1-2-4-15-20-13-9-10(19)7-8-14(13)21(15)16-11(17)5-3-6-12(16)18/h3,5-9H,2,4,19H2,1H3
InChIKeyRSNXFCRHZCHXMY-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.84
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine

1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine (PubChem CID 62506849) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
PubChem CID62506849
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1-c1c(F)cccc1F
InChIInChI=1S/C16H15F2N3/c1-2-4-15-20-13-9-10(19)7-8-14(13)21(15)16-11(17)5-3-6-12(16)18/h3,5-9H,2,4,19H2,1H3
InChIKeyRSNXFCRHZCHXMY-UHFFFAOYSA-N
XLogP3.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
CID 63496681
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
1-(5-chloro-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63497224
2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine
CID 62507018
1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
CID 83072700
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835217
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine (CID 62506849) is 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine?
The InChIKey is RSNXFCRHZCHXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-2-4-15-20-13-9-10(19)7-8-14(13)21(15)16-11(17)5-3-6-12(16)18/h3,5-9H,2,4,19H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine?
1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine has a molecular weight of 287.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 62506849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).