1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine

C16H15F2N3 — CID 82803563

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15F2N3/c1-3-14-20-12-8-10(19)5-7-13(12)21(14)16-11(17)6-4-9(2)15(16)18/h4-8H,3,19H2,1-2H3
InChIKeyPFKNGHGDCCXRFR-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.76
Rot. Bonds2

About 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine

1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine (PubChem CID 82803563) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
PubChem CID82803563
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15F2N3/c1-3-14-20-12-8-10(19)5-7-13(12)21(14)16-11(17)6-4-9(2)15(16)18/h4-8H,3,19H2,1-2H3
InChIKeyPFKNGHGDCCXRFR-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
CID 83072700
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
CID 62506849
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole
CID 82801034
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219
1-(5-chloro-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63497224
1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112
2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
CID 63498452
[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol
CID 103587462
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
[5-amino-1-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-yl]methanol
CID 65499669

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine (CID 82803563) is 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine?
The InChIKey is PFKNGHGDCCXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-3-14-20-12-8-10(19)5-7-13(12)21(14)16-11(17)6-4-9(2)15(16)18/h4-8H,3,19H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine?
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine has a molecular weight of 287.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 82803563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).