3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one

C22H27N3O — CID 10427916

IUPAC3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22-23-20-9-4-5-10-21(20)25(22)14-6-13-24-15-11-19(12-16-24)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2,(H,23,26)
InChIKeyNUKOLZHZJDOBHR-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.67
Rot. Bonds6

About 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one

3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one (PubChem CID 10427916) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
PubChem CID10427916
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22-23-20-9-4-5-10-21(20)25(22)14-6-13-24-15-11-19(12-16-24)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2,(H,23,26)
InChIKeyNUKOLZHZJDOBHR-UHFFFAOYSA-N
XLogP3.67
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 167883650
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-1H-benzimidazol-2-one
CID 13056042
3-[3-[4-(1-propan-2-ylindol-3-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one;hydrochloride
CID 13056034
3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 13105612
3-[3-[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one
CID 20506310
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 165127975
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
CID 23369424
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
1-[4-(4-benzylpiperidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 66737741
3-[3-[4-[[2-(4-bromophenyl)phenyl]methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one
CID 20506362
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one (CID 10427916) is 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one?
The InChIKey is NUKOLZHZJDOBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22-23-20-9-4-5-10-21(20)25(22)14-6-13-24-15-11-19(12-16-24)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2,(H,23,26).
What are the key properties of 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one?
3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one has a molecular weight of 349.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10427916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).