N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine

C16H16FN3 — CID 90942138

IUPACN-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
SMILESCc1cc(C)c(Nc2nc3ccccc3[nH]2)c(C)c1F
InChIInChI=1S/C16H16FN3/c1-9-8-10(2)15(11(3)14(9)17)20-16-18-12-6-4-5-7-13(12)19-16/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyBHKBSIIIYVZOJM-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.37
Rot. Bonds2

About N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine

N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine (PubChem CID 90942138) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
PubChem CID90942138
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
SMILESCc1cc(C)c(Nc2nc3ccccc3[nH]2)c(C)c1F
InChIInChI=1S/C16H16FN3/c1-9-8-10(2)15(11(3)14(9)17)20-16-18-12-6-4-5-7-13(12)19-16/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyBHKBSIIIYVZOJM-UHFFFAOYSA-N
XLogP4.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine
CID 25167649
N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865262
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine (CID 90942138) is N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine is Cc1cc(C)c(Nc2nc3ccccc3[nH]2)c(C)c1F.
What is the InChIKey of N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine?
The InChIKey is BHKBSIIIYVZOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-9-8-10(2)15(11(3)14(9)17)20-16-18-12-6-4-5-7-13(12)19-16/h4-8H,1-3H3,(H2,18,19,20).
What are the key properties of N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine?
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine has a molecular weight of 269.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 90942138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).