1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine

C16H16FN3 — CID 43662152

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCc1cccc(F)c1
InChIInChI=1S/C16H16FN3/c1-11-5-6-15-14(9-11)19-16(18)20(15)8-7-12-3-2-4-13(17)10-12/h2-6,9-10H,7-8H2,1H3,(H2,18,19)
InChIKeyARKKJANDKBSEGM-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.31
Rot. Bonds3

About 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine

1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine (PubChem CID 43662152) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
PubChem CID43662152
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCc1cccc(F)c1
InChIInChI=1S/C16H16FN3/c1-11-5-6-15-14(9-11)19-16(18)20(15)8-7-12-3-2-4-13(17)10-12/h2-6,9-10H,7-8H2,1H3,(H2,18,19)
InChIKeyARKKJANDKBSEGM-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 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine (CID 43662152) is 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2CCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine?
The InChIKey is ARKKJANDKBSEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-5-6-15-14(9-11)19-16(18)20(15)8-7-12-3-2-4-13(17)10-12/h2-6,9-10H,7-8H2,1H3,(H2,18,19).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine?
1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-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 1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 43662152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).