1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine

C24H23F2N5 — CID 118057816

IUPAC1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(F)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H23F2N5/c1-14-8-15(10-17(26)9-14)19-12-28-13-20(23(19)31-6-4-18(27)5-7-31)24-29-21-3-2-16(25)11-22(21)30-24/h2-3,8-13,18H,4-7,27H2,1H3,(H,29,30)
InChIKeyRQSZWXLQUXSPHI-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.81
Rot. Bonds3

About 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine

1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118057816) has the molecular formula C24H23F2N5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine
PubChem CID118057816
Molecular FormulaC24H23F2N5
Molecular Weight419.48 g/mol
Exact Mass419.19
IUPAC Name1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(F)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H23F2N5/c1-14-8-15(10-17(26)9-14)19-12-28-13-20(23(19)31-6-4-18(27)5-7-31)24-29-21-3-2-16(25)11-22(21)30-24/h2-3,8-13,18H,4-7,27H2,1H3,(H,29,30)
InChIKeyRQSZWXLQUXSPHI-UHFFFAOYSA-N
XLogP4.81
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine (CID 118057816) is 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine is Cc1cc(F)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is RQSZWXLQUXSPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5/c1-14-8-15(10-17(26)9-14)19-12-28-13-20(23(19)31-6-4-18(27)5-7-31)24-29-21-3-2-16(25)11-22(21)30-24/h2-3,8-13,18H,4-7,27H2,1H3,(H,29,30).
What are the key properties of 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine?
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 419.48 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118057816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).