5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

C25H31N3O — CID 131635605

IUPAC5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(C3CCN(Cc4ccc(-c5ccccc5)cc4)CC3)CC2N1
InChIInChI=1S/C25H31N3O/c29-25-26-23-11-10-22(16-24(23)27-25)21-12-14-28(15-13-21)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,21-24H,10-17H2,(H2,26,27,29)
InChIKeyXSUAISHJAFOVGB-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.42
Rot. Bonds4

About 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (PubChem CID 131635605) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
PubChem CID131635605
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(C3CCN(Cc4ccc(-c5ccccc5)cc4)CC3)CC2N1
InChIInChI=1S/C25H31N3O/c29-25-26-23-11-10-22(16-24(23)27-25)21-12-14-28(15-13-21)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,21-24H,10-17H2,(H2,26,27,29)
InChIKeyXSUAISHJAFOVGB-UHFFFAOYSA-N
XLogP4.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one with MolForge

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Related Compounds

4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
5-(1-((4'-Fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one (5b)
CID 131635606
5-(4-((4'-fluorobiphenyl-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6b)
CID 131635612
3-(1-Benzylpiperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 11718536
1-Benzyl-1-methyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125470
3-(1-(3-Fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fluorophenyl)-imidazolidin-2-one
CID 16125682
3-(1-(3-Methylbenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16125683
3-(1-Benzyl-tropin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 44420821
N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide
CID 71559639
5-(1-(3-cyclopentenylbenzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one (5e)
CID 131635609
5-(4-(biphenyl-4-ylmethyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6a)
CID 131635611

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (CID 131635605) is 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is O=C1NC2CCC(C3CCN(Cc4ccc(-c5ccccc5)cc4)CC3)CC2N1.
What is the InChIKey of 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The InChIKey is XSUAISHJAFOVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c29-25-26-23-11-10-22(16-24(23)27-25)21-12-14-28(15-13-21)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,21-24H,10-17H2,(H2,26,27,29).
What are the key properties of 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one has a molecular weight of 389.54 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is sourced from PubChem (CID 131635605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).