1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole

C26H27N3O — CID 23383529

IUPAC1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole
SMILESCOc1nc2ccccc2n1C1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27N3O/c1-30-26-27-23-14-8-9-15-24(23)29(26)22-16-18-28(19-17-22)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,25H,16-19H2,1H3
InChIKeyKYYCRMMNYMHCRW-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.47
Rot. Bonds5

About 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole

1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole (PubChem CID 23383529) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole.

Molecular Properties

Compound Name1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole
PubChem CID23383529
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole
SMILESCOc1nc2ccccc2n1C1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27N3O/c1-30-26-27-23-14-8-9-15-24(23)29(26)22-16-18-28(19-17-22)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,25H,16-19H2,1H3
InChIKeyKYYCRMMNYMHCRW-UHFFFAOYSA-N
XLogP5.47
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole?
The IUPAC name of 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole (CID 23383529) is 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole.
What is the SMILES notation for 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole?
The canonical SMILES for 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole is COc1nc2ccccc2n1C1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole?
The InChIKey is KYYCRMMNYMHCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-30-26-27-23-14-8-9-15-24(23)29(26)22-16-18-28(19-17-22)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,25H,16-19H2,1H3.
What are the key properties of 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole?
1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole has a molecular weight of 397.52 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylpiperidin-4-yl)-2-methoxybenzimidazole is sourced from PubChem (CID 23383529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).