1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine

C16H16FN3 — CID 103592692

IUPAC1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc(C)cc(-n2c(N)nc3cc(F)c(C)cc32)c1
InChIInChI=1S/C16H16FN3/c1-9-4-10(2)6-12(5-9)20-15-7-11(3)13(17)8-14(15)19-16(20)18/h4-8H,1-3H3,(H2,18,19)
InChIKeyMEBCBAWIQWIJTH-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.67
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103592692) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103592692
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc(C)cc(-n2c(N)nc3cc(F)c(C)cc32)c1
InChIInChI=1S/C16H16FN3/c1-9-4-10(2)6-12(5-9)20-15-7-11(3)13(17)8-14(15)19-16(20)18/h4-8H,1-3H3,(H2,18,19)
InChIKeyMEBCBAWIQWIJTH-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

1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 107575904
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
CID 66080790
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
CID 102225118

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 103592692) is 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc(C)cc(-n2c(N)nc3cc(F)c(C)cc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is MEBCBAWIQWIJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-9-4-10(2)6-12(5-9)20-15-7-11(3)13(17)8-14(15)19-16(20)18/h4-8H,1-3H3,(H2,18,19).
What are the key properties of 1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(3,5-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-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).