1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine

C15H15FN4 — CID 82742340

IUPAC1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine
SMILESCCc1cccnc1Cn1c(N)nc2c(F)cccc21
InChIInChI=1S/C15H15FN4/c1-2-10-5-4-8-18-12(10)9-20-13-7-3-6-11(16)14(13)19-15(20)17/h3-8H,2,9H2,1H3,(H2,17,19)
InChIKeyCEYIBYQPMLOMJW-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.76
Rot. Bonds3

About 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine

1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine (PubChem CID 82742340) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine
PubChem CID82742340
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine
SMILESCCc1cccnc1Cn1c(N)nc2c(F)cccc21
InChIInChI=1S/C15H15FN4/c1-2-10-5-4-8-18-12(10)9-20-13-7-3-6-11(16)14(13)19-15(20)17/h3-8H,2,9H2,1H3,(H2,17,19)
InChIKeyCEYIBYQPMLOMJW-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine (CID 82742340) is 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine is CCc1cccnc1Cn1c(N)nc2c(F)cccc21.
What is the InChIKey of 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine?
The InChIKey is CEYIBYQPMLOMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-2-10-5-4-8-18-12(10)9-20-13-7-3-6-11(16)14(13)19-15(20)17/h3-8H,2,9H2,1H3,(H2,17,19).
What are the key properties of 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine?
1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine has a molecular weight of 270.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 82742340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).