2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole

C25H26N4O — CID 56948240

IUPAC2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2cccc(-c3cccnc3)c2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H26N4O/c1-29-14-11-21(12-15-29)30-24(25-27-22-9-2-3-10-23(22)28-25)19-7-4-6-18(16-19)20-8-5-13-26-17-20/h2-10,13,16-17,21,24H,11-12,14-15H2,1H3,(H,27,28)
InChIKeyIXIXTAZFJDJAMD-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.83
Rot. Bonds5

About 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole

2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole (PubChem CID 56948240) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole
PubChem CID56948240
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2cccc(-c3cccnc3)c2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H26N4O/c1-29-14-11-21(12-15-29)30-24(25-27-22-9-2-3-10-23(22)28-25)19-7-4-6-18(16-19)20-8-5-13-26-17-20/h2-10,13,16-17,21,24H,11-12,14-15H2,1H3,(H,27,28)
InChIKeyIXIXTAZFJDJAMD-UHFFFAOYSA-N
XLogP4.83
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole (CID 56948240) is 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole is CN1CCC(OC(c2cccc(-c3cccnc3)c2)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole?
The InChIKey is IXIXTAZFJDJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-29-14-11-21(12-15-29)30-24(25-27-22-9-2-3-10-23(22)28-25)19-7-4-6-18(16-19)20-8-5-13-26-17-20/h2-10,13,16-17,21,24H,11-12,14-15H2,1H3,(H,27,28).
What are the key properties of 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole?
2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole has a molecular weight of 398.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 56948240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).