N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C24H28N4O — CID 92680753

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)CC1
InChIInChI=1S/C24H28N4O/c1-19-10-13-27(14-11-19)17-21-2-6-22(7-3-21)24(29)26-16-20-4-8-23(9-5-20)28-15-12-25-18-28/h2-9,12,15,18-19H,10-11,13-14,16-17H2,1H3,(H,26,29)
InChIKeyQMOFJGRUSDLKKX-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.03
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 92680753) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID92680753
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)CC1
InChIInChI=1S/C24H28N4O/c1-19-10-13-27(14-11-19)17-21-2-6-22(7-3-21)24(29)26-16-20-4-8-23(9-5-20)28-15-12-25-18-28/h2-9,12,15,18-19H,10-11,13-14,16-17H2,1H3,(H,26,29)
InChIKeyQMOFJGRUSDLKKX-UHFFFAOYSA-N
XLogP4.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30390230
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43910415
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 56551794
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 48994302
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 39997651
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide
CID 135269671

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 92680753) is N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)CC1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is QMOFJGRUSDLKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-19-10-13-27(14-11-19)17-21-2-6-22(7-3-21)24(29)26-16-20-4-8-23(9-5-20)28-15-12-25-18-28/h2-9,12,15,18-19H,10-11,13-14,16-17H2,1H3,(H,26,29).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 388.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 92680753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).