1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one

C29H31N3O2 — CID 10297842

IUPAC1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one
SMILESCC(=O)n1c(=O)n(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C29H31N3O2/c1-22(33)31-27-14-8-9-15-28(27)32(29(31)34)25-16-19-30(20-17-25)21-18-26(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25-26H,16-21H2,1H3
InChIKeyKSZGQNDOXJHDTE-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.32
Rot. Bonds6

About 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one

1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one (PubChem CID 10297842) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one
PubChem CID10297842
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one
SMILESCC(=O)n1c(=O)n(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C29H31N3O2/c1-22(33)31-27-14-8-9-15-28(27)32(29(31)34)25-16-19-30(20-17-25)21-18-26(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25-26H,16-21H2,1H3
InChIKeyKSZGQNDOXJHDTE-UHFFFAOYSA-N
XLogP5.32
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide
CID 12044079
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
CID 18381967
1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one
CID 10134459
3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
CID 10666935
1-[1-[3-(4-iodophenyl)-3-phenylpropyl]piperidin-4-yl]-2-methylbenzimidazole
CID 58282556
[2-[3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-2-oxoethyl] acetate
CID 70137155
(3aR,7aS)-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 10112700
1-(3,3-diphenylpropyl)-4-ethenylpiperidine
CID 89209836
[(1R,2R)-2-[4-(3-acetyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-1-(3,4,5-trimethoxyphenyl)propyl] acetate
CID 12915878
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
4-[1-(3,4-dihydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-N,N-diethylbenzamide;hydrochloride
CID 22671414
4-chloro-N-[2-[4-[3-(4-chlorobenzoyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]ethyl]benzamide
CID 53470357

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one (CID 10297842) is 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one is CC(=O)n1c(=O)n(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one?
The InChIKey is KSZGQNDOXJHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-22(33)31-27-14-8-9-15-28(27)32(29(31)34)25-16-19-30(20-17-25)21-18-26(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25-26H,16-21H2,1H3.
What are the key properties of 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one?
1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one has a molecular weight of 453.59 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 10297842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).