[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine

C14H13FN4 — CID 81098767

IUPAC[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine
SMILESCn1c(-c2ccc(CN)cn2)nc2cc(F)ccc21
InChIInChI=1S/C14H13FN4/c1-19-13-5-3-10(15)6-12(13)18-14(19)11-4-2-9(7-16)8-17-11/h2-6,8H,7,16H2,1H3
InChIKeyKAEMFDSOWGULGM-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.23
Rot. Bonds2

About [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine

[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine (PubChem CID 81098767) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine
PubChem CID81098767
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine
SMILESCn1c(-c2ccc(CN)cn2)nc2cc(F)ccc21
InChIInChI=1S/C14H13FN4/c1-19-13-5-3-10(15)6-12(13)18-14(19)11-4-2-9(7-16)8-17-11/h2-6,8H,7,16H2,1H3
InChIKeyKAEMFDSOWGULGM-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine (CID 81098767) is [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine is Cn1c(-c2ccc(CN)cn2)nc2cc(F)ccc21.
What is the InChIKey of [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine?
The InChIKey is KAEMFDSOWGULGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-19-13-5-3-10(15)6-12(13)18-14(19)11-4-2-9(7-16)8-17-11/h2-6,8H,7,16H2,1H3.
What are the key properties of [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine?
[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine has a molecular weight of 256.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81098767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).