4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine

C14H12FN3 — CID 152511992

IUPAC4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2c(-c3ccccc3F)cccc21
InChIInChI=1S/C14H12FN3/c1-18-12-8-4-6-10(13(12)17-14(18)16)9-5-2-3-7-11(9)15/h2-8H,1H3,(H2,16,17)
InChIKeyYFRYGSKAFFQXTL-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.96
Rot. Bonds1

About 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine

4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine (PubChem CID 152511992) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine
PubChem CID152511992
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2c(-c3ccccc3F)cccc21
InChIInChI=1S/C14H12FN3/c1-18-12-8-4-6-10(13(12)17-14(18)16)9-5-2-3-7-11(9)15/h2-8H,1H3,(H2,16,17)
InChIKeyYFRYGSKAFFQXTL-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
4-(4-bromophenyl)-1-methylbenzimidazol-2-amine
CID 141059444
2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783997
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine
CID 62226219
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
4-(2-fluorophenyl)furan-3-amine
CID 117223449
4-(2-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70913994

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine (CID 152511992) is 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine is Cn1c(N)nc2c(-c3ccccc3F)cccc21.
What is the InChIKey of 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine?
The InChIKey is YFRYGSKAFFQXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-18-12-8-4-6-10(13(12)17-14(18)16)9-5-2-3-7-11(9)15/h2-8H,1H3,(H2,16,17).
What are the key properties of 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine?
4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine has a molecular weight of 241.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 152511992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).