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

C25H26FN5 — CID 164624123

IUPAC1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H26FN5/c1-15-9-16(2)11-17(10-15)20-13-28-14-21(24(20)31-7-5-19(27)6-8-31)25-29-22-4-3-18(26)12-23(22)30-25/h3-4,9-14,19H,5-8,27H2,1-2H3,(H,29,30)
InChIKeyJJAYZXFBENXPTI-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.98
Rot. Bonds3

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

1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (PubChem CID 164624123) has the molecular formula C25H26FN5 and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
PubChem CID164624123
Molecular FormulaC25H26FN5
Molecular Weight415.52 g/mol
Exact Mass415.22
IUPAC Name1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H26FN5/c1-15-9-16(2)11-17(10-15)20-13-28-14-21(24(20)31-7-5-19(27)6-8-31)25-29-22-4-3-18(26)12-23(22)30-25/h3-4,9-14,19H,5-8,27H2,1-2H3,(H,29,30)
InChIKeyJJAYZXFBENXPTI-UHFFFAOYSA-N
XLogP4.98
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (CID 164624123) is 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is Cc1cc(C)cc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is JJAYZXFBENXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5/c1-15-9-16(2)11-17(10-15)20-13-28-14-21(24(20)31-7-5-19(27)6-8-31)25-29-22-4-3-18(26)12-23(22)30-25/h3-4,9-14,19H,5-8,27H2,1-2H3,(H,29,30).
What are the key properties of 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 415.52 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 164624123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).