6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine

C16H16FN3 — CID 79757549

IUPAC6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
SMILESCc1ccccc1CCn1c(N)nc2ccc(F)cc21
InChIInChI=1S/C16H16FN3/c1-11-4-2-3-5-12(11)8-9-20-15-10-13(17)6-7-14(15)19-16(20)18/h2-7,10H,8-9H2,1H3,(H2,18,19)
InChIKeyNTNKSQYMWPVLDY-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.31
Rot. Bonds3

About 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine

6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine (PubChem CID 79757549) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
PubChem CID79757549
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
SMILESCc1ccccc1CCn1c(N)nc2ccc(F)cc21
InChIInChI=1S/C16H16FN3/c1-11-4-2-3-5-12(11)8-9-20-15-10-13(17)6-7-14(15)19-16(20)18/h2-7,10H,8-9H2,1H3,(H2,18,19)
InChIKeyNTNKSQYMWPVLDY-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine (CID 79757549) is 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine is Cc1ccccc1CCn1c(N)nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The InChIKey is NTNKSQYMWPVLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-4-2-3-5-12(11)8-9-20-15-10-13(17)6-7-14(15)19-16(20)18/h2-7,10H,8-9H2,1H3,(H2,18,19).
What are the key properties of 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 79757549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).