[2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone

C30H38N4O2 — CID 155312902

IUPAC[2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone
SMILESCNc1ccc(C2CCN(C(=O)c3cc(-c4nc(C5CCOCC5)[nH]c4C)c(C)cc3C)CC2)cc1
InChIInChI=1S/C30H38N4O2/c1-19-17-20(2)27(18-26(19)28-21(3)32-29(33-28)24-11-15-36-16-12-24)30(35)34-13-9-23(10-14-34)22-5-7-25(31-4)8-6-22/h5-8,17-18,23-24,31H,9-16H2,1-4H3,(H,32,33)
InChIKeyHDKOGSKLKOZXCT-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.96
Rot. Bonds5

About [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone

[2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone (PubChem CID 155312902) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone
PubChem CID155312902
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name[2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone
SMILESCNc1ccc(C2CCN(C(=O)c3cc(-c4nc(C5CCOCC5)[nH]c4C)c(C)cc3C)CC2)cc1
InChIInChI=1S/C30H38N4O2/c1-19-17-20(2)27(18-26(19)28-21(3)32-29(33-28)24-11-15-36-16-12-24)30(35)34-13-9-23(10-14-34)22-5-7-25(31-4)8-6-22/h5-8,17-18,23-24,31H,9-16H2,1-4H3,(H,32,33)
InChIKeyHDKOGSKLKOZXCT-UHFFFAOYSA-N
XLogP5.96
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone?
The IUPAC name of [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone (CID 155312902) is [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone is CNc1ccc(C2CCN(C(=O)c3cc(-c4nc(C5CCOCC5)[nH]c4C)c(C)cc3C)CC2)cc1.
What is the InChIKey of [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone?
The InChIKey is HDKOGSKLKOZXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-19-17-20(2)27(18-26(19)28-21(3)32-29(33-28)24-11-15-36-16-12-24)30(35)34-13-9-23(10-14-34)22-5-7-25(31-4)8-6-22/h5-8,17-18,23-24,31H,9-16H2,1-4H3,(H,32,33).
What are the key properties of [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone?
[2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone has a molecular weight of 486.66 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-5-[5-methyl-2-(oxan-4-yl)-1H-imidazol-4-yl]phenyl]-[4-[4-(methylamino)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155312902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).