4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile

C31H33N5 — CID 67585804

IUPAC4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2CCNC2CCN(c3ccccc3)C(Cc3ccccc3)C2)cc1
InChIInChI=1S/C31H33N5/c32-21-26-11-13-27(14-12-26)23-35-24-33-22-30(35)15-17-34-28-16-18-36(29-9-5-2-6-10-29)31(20-28)19-25-7-3-1-4-8-25/h1-14,22,24,28,31,34H,15-20,23H2
InChIKeyBVRMFFVPTDTTBI-UHFFFAOYSA-N
MW475.64 g/mol
LogP5.22
Rot. Bonds9

About 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile

4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 67585804) has the molecular formula C31H33N5 and a molecular weight of 475.64 g/mol. Its IUPAC name is 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID67585804
Molecular FormulaC31H33N5
Molecular Weight475.64 g/mol
Exact Mass475.27
IUPAC Name4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2CCNC2CCN(c3ccccc3)C(Cc3ccccc3)C2)cc1
InChIInChI=1S/C31H33N5/c32-21-26-11-13-27(14-12-26)23-35-24-33-22-30(35)15-17-34-28-16-18-36(29-9-5-2-6-10-29)31(20-28)19-25-7-3-1-4-8-25/h1-14,22,24,28,31,34H,15-20,23H2
InChIKeyBVRMFFVPTDTTBI-UHFFFAOYSA-N
XLogP5.22
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

4-[[5-[2-[[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 142048930
4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 10960344
4-[[5-[2-[[(3R)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 11004204
4-[[5-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 142048856
4-[[5-[[benzyl-(1-phenylpiperidin-4-yl)amino]methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 21193233
4-[[5-[2-[(2-chlorophenyl)methylamino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 141033992
4-[[5-[2-[(3R,4S)-3-methyl-2-oxo-1-phenylpiperidin-4-yl]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 18392947
N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 67582042
4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide
CID 22958700
N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
CID 23291192
5-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 70274484
4-[[5-[2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 70154724

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile (CID 67585804) is 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2cncc2CCNC2CCN(c3ccccc3)C(Cc3ccccc3)C2)cc1.
What is the InChIKey of 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is BVRMFFVPTDTTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5/c32-21-26-11-13-27(14-12-26)23-35-24-33-22-30(35)15-17-34-28-16-18-36(29-9-5-2-6-10-29)31(20-28)19-25-7-3-1-4-8-25/h1-14,22,24,28,31,34H,15-20,23H2.
What are the key properties of 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile?
4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 475.64 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[(2-benzyl-1-phenylpiperidin-4-yl)amino]ethyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 67585804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).