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

C26H29N5 — CID 164623072

IUPAC1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H29N5/c1-16-4-5-23-24(13-16)30-26(29-23)22-15-28-14-21(19-11-17(2)10-18(3)12-19)25(22)31-8-6-20(27)7-9-31/h4-5,10-15,20H,6-9,27H2,1-3H3,(H,29,30)
InChIKeyHJIZPSICVCGBRT-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.14
Rot. Bonds3

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

1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (PubChem CID 164623072) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
PubChem CID164623072
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H29N5/c1-16-4-5-23-24(13-16)30-26(29-23)22-15-28-14-21(19-11-17(2)10-18(3)12-19)25(22)31-8-6-20(27)7-9-31/h4-5,10-15,20H,6-9,27H2,1-3H3,(H,29,30)
InChIKeyHJIZPSICVCGBRT-UHFFFAOYSA-N
XLogP5.14
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (CID 164623072) is 1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is Cc1cc(C)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is HJIZPSICVCGBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-16-4-5-23-24(13-16)30-26(29-23)22-15-28-14-21(19-11-17(2)10-18(3)12-19)25(22)31-8-6-20(27)7-9-31/h4-5,10-15,20H,6-9,27H2,1-3H3,(H,29,30).
What are the key properties of 1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 411.55 g/mol, XLogP of 5.14, 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-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 164623072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).