3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one

C27H29N3O2 — CID 13105612

IUPAC3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c31-27-28-24-13-7-8-14-25(24)30(27)20-19-29-17-15-23(16-18-29)32-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26H,15-20H2,(H,28,31)
InChIKeyXSFBTTMUSWCNFP-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.60
Rot. Bonds7

About 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one

3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one (PubChem CID 13105612) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one
PubChem CID13105612
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c31-27-28-24-13-7-8-14-25(24)30(27)20-19-29-17-15-23(16-18-29)32-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26H,15-20H2,(H,28,31)
InChIKeyXSFBTTMUSWCNFP-UHFFFAOYSA-N
XLogP4.60
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one (CID 13105612) is 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one?
The InChIKey is XSFBTTMUSWCNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-27-28-24-13-7-8-14-25(24)30(27)20-19-29-17-15-23(16-18-29)32-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26H,15-20H2,(H,28,31).
What are the key properties of 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one?
3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one has a molecular weight of 427.55 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 13105612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).