3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

C27H30N4O — CID 12763869

IUPAC3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCCN(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30N4O/c32-27-28-25-14-7-8-15-26(25)31(27)24-16-20-29(21-17-24)18-9-19-30(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24H,9,16-21H2,(H,28,32)
InChIKeyCQQPBRZBMFSECX-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.19
Rot. Bonds7

About 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 12763869) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID12763869
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCCN(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30N4O/c32-27-28-25-14-7-8-15-26(25)31(27)24-16-20-29(21-17-24)18-9-19-30(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24H,9,16-21H2,(H,28,32)
InChIKeyCQQPBRZBMFSECX-UHFFFAOYSA-N
XLogP5.19
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490
3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968543
3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58160538
3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968540
3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride
CID 21076275
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 12763869) is 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CCCN(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is CQQPBRZBMFSECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c32-27-28-25-14-7-8-15-26(25)31(27)24-16-20-29(21-17-24)18-9-19-30(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24H,9,16-21H2,(H,28,32).
What are the key properties of 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 426.56 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 12763869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).