3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile

C15H15BrN4 — CID 107795823

IUPAC3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2cncc2C2CCCNC2)c(Br)c1
InChIInChI=1S/C15H15BrN4/c16-13-6-11(7-17)3-4-14(13)20-10-19-9-15(20)12-2-1-5-18-8-12/h3-4,6,9-10,12,18H,1-2,5,8H2
InChIKeyYNNYPBZRPIXZBQ-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.97
Rot. Bonds2

About 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile

3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile (PubChem CID 107795823) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile
PubChem CID107795823
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2cncc2C2CCCNC2)c(Br)c1
InChIInChI=1S/C15H15BrN4/c16-13-6-11(7-17)3-4-14(13)20-10-19-9-15(20)12-2-1-5-18-8-12/h3-4,6,9-10,12,18H,1-2,5,8H2
InChIKeyYNNYPBZRPIXZBQ-UHFFFAOYSA-N
XLogP2.97
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
CID 107795804
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702986
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979
4-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-3-bromobenzonitrile
CID 107795830
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile?
The IUPAC name of 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile (CID 107795823) is 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile.
What is the SMILES notation for 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile?
The canonical SMILES for 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile is N#Cc1ccc(-n2cncc2C2CCCNC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile?
The InChIKey is YNNYPBZRPIXZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c16-13-6-11(7-17)3-4-14(13)20-10-19-9-15(20)12-2-1-5-18-8-12/h3-4,6,9-10,12,18H,1-2,5,8H2.
What are the key properties of 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile?
3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile has a molecular weight of 331.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile is sourced from PubChem (CID 107795823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).