4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile

C24H26N4 — CID 70204857

IUPAC4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile
SMILESCc1ccccc1C(c1ncc(Cc2ccc(C#N)cc2)[nH]1)C1CCNCC1
InChIInChI=1S/C24H26N4/c1-17-4-2-3-5-22(17)23(20-10-12-26-13-11-20)24-27-16-21(28-24)14-18-6-8-19(15-25)9-7-18/h2-9,16,20,23,26H,10-14H2,1H3,(H,27,28)
InChIKeyUOPQMKQBKCXRCV-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.31
Rot. Bonds5

About 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile

4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile (PubChem CID 70204857) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile
PubChem CID70204857
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile
SMILESCc1ccccc1C(c1ncc(Cc2ccc(C#N)cc2)[nH]1)C1CCNCC1
InChIInChI=1S/C24H26N4/c1-17-4-2-3-5-22(17)23(20-10-12-26-13-11-20)24-27-16-21(28-24)14-18-6-8-19(15-25)9-7-18/h2-9,16,20,23,26H,10-14H2,1H3,(H,27,28)
InChIKeyUOPQMKQBKCXRCV-UHFFFAOYSA-N
XLogP4.31
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile (CID 70204857) is 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile is Cc1ccccc1C(c1ncc(Cc2ccc(C#N)cc2)[nH]1)C1CCNCC1.
What is the InChIKey of 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile?
The InChIKey is UOPQMKQBKCXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-17-4-2-3-5-22(17)23(20-10-12-26-13-11-20)24-27-16-21(28-24)14-18-6-8-19(15-25)9-7-18/h2-9,16,20,23,26H,10-14H2,1H3,(H,27,28).
What are the key properties of 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile?
4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile has a molecular weight of 370.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile is sourced from PubChem (CID 70204857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).