3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one

C30H36N4O — CID 68719751

IUPAC3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H36N4O/c1-30(2,33(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25)23-32-19-17-26(18-20-32)34-28-16-10-9-15-27(28)31-29(34)35/h3-16,26H,17-23H2,1-2H3,(H,31,35)
InChIKeyAGHYMRHYJALYPZ-UHFFFAOYSA-N
MW468.65 g/mol
LogP5.45
Rot. Bonds8

About 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 68719751) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID68719751
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H36N4O/c1-30(2,33(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25)23-32-19-17-26(18-20-32)34-28-16-10-9-15-27(28)31-29(34)35/h3-16,26H,17-23H2,1-2H3,(H,31,35)
InChIKeyAGHYMRHYJALYPZ-UHFFFAOYSA-N
XLogP5.45
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547652
3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 102281870
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 41260002
3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968543
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 68719751) is 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(C)(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is AGHYMRHYJALYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-30(2,33(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25)23-32-19-17-26(18-20-32)34-28-16-10-9-15-27(28)31-29(34)35/h3-16,26H,17-23H2,1-2H3,(H,31,35).
What are the key properties of 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 468.65 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 68719751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).