[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate

C27H28N4O2 — CID 139674501

IUPAC[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate
SMILESO=C(NC(c1ccccc1)c1ccccc1)OC1CCN(Cc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C27H28N4O2/c32-27(30-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-23-13-15-31(16-14-23)18-20-11-12-24-25(17-20)29-19-28-24/h1-12,17,19,23,26H,13-16,18H2,(H,28,29)(H,30,32)
InChIKeyOPXCVPOPEXYHDP-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.04
Rot. Bonds6

About [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate

[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate (PubChem CID 139674501) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate.

Molecular Properties

Compound Name[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate
PubChem CID139674501
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate
SMILESO=C(NC(c1ccccc1)c1ccccc1)OC1CCN(Cc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C27H28N4O2/c32-27(30-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-23-13-15-31(16-14-23)18-20-11-12-24-25(17-20)29-19-28-24/h1-12,17,19,23,26H,13-16,18H2,(H,28,29)(H,30,32)
InChIKeyOPXCVPOPEXYHDP-UHFFFAOYSA-N
XLogP5.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate?
The IUPAC name of [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate (CID 139674501) is [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate.
What is the SMILES notation for [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate?
The canonical SMILES for [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate is O=C(NC(c1ccccc1)c1ccccc1)OC1CCN(Cc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate?
The InChIKey is OPXCVPOPEXYHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-27(30-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-23-13-15-31(16-14-23)18-20-11-12-24-25(17-20)29-19-28-24/h1-12,17,19,23,26H,13-16,18H2,(H,28,29)(H,30,32).
What are the key properties of [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate?
[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate has a molecular weight of 440.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate is sourced from PubChem (CID 139674501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).