1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine

C16H16FN3 — CID 103592661

IUPAC1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1ccc(C)c(-n2c(N)nc3cc(F)c(C)cc32)c1
InChIInChI=1S/C16H16FN3/c1-9-4-5-10(2)14(6-9)20-15-7-11(3)12(17)8-13(15)19-16(20)18/h4-8H,1-3H3,(H2,18,19)
InChIKeyBTWYVDBDXOFZCY-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.67
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103592661) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103592661
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1ccc(C)c(-n2c(N)nc3cc(F)c(C)cc32)c1
InChIInChI=1S/C16H16FN3/c1-9-4-5-10(2)14(6-9)20-15-7-11(3)12(17)8-13(15)19-16(20)18/h4-8H,1-3H3,(H2,18,19)
InChIKeyBTWYVDBDXOFZCY-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
CID 63597352
1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 107575904
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809092

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 103592661) is 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine is Cc1ccc(C)c(-n2c(N)nc3cc(F)c(C)cc32)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is BTWYVDBDXOFZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-9-4-5-10(2)14(6-9)20-15-7-11(3)12(17)8-13(15)19-16(20)18/h4-8H,1-3H3,(H2,18,19).
What are the key properties of 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).