N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide

C25H35N3O2 — CID 90677133

IUPACN-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide
SMILESCC(C)c1ccc(C(=O)CC(C(=O)NC2CCCCC2)n2ccnc2)c(C(C)C)c1
InChIInChI=1S/C25H35N3O2/c1-17(2)19-10-11-21(22(14-19)18(3)4)24(29)15-23(28-13-12-26-16-28)25(30)27-20-8-6-5-7-9-20/h10-14,16-18,20,23H,5-9,15H2,1-4H3,(H,27,30)
InChIKeyBQTOVSHIMVRGPL-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.39
Rot. Bonds8

About N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide

N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide (PubChem CID 90677133) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide
PubChem CID90677133
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide
SMILESCC(C)c1ccc(C(=O)CC(C(=O)NC2CCCCC2)n2ccnc2)c(C(C)C)c1
InChIInChI=1S/C25H35N3O2/c1-17(2)19-10-11-21(22(14-19)18(3)4)24(29)15-23(28-13-12-26-16-28)25(30)27-20-8-6-5-7-9-20/h10-14,16-18,20,23H,5-9,15H2,1-4H3,(H,27,30)
InChIKeyBQTOVSHIMVRGPL-UHFFFAOYSA-N
XLogP5.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide?
The IUPAC name of N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide (CID 90677133) is N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide.
What is the SMILES notation for N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide?
The canonical SMILES for N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide is CC(C)c1ccc(C(=O)CC(C(=O)NC2CCCCC2)n2ccnc2)c(C(C)C)c1.
What is the InChIKey of N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide?
The InChIKey is BQTOVSHIMVRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-17(2)19-10-11-21(22(14-19)18(3)4)24(29)15-23(28-13-12-26-16-28)25(30)27-20-8-6-5-7-9-20/h10-14,16-18,20,23H,5-9,15H2,1-4H3,(H,27,30).
What are the key properties of N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide?
N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide has a molecular weight of 409.57 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2,4-di(propan-2-yl)phenyl]-2-imidazol-1-yl-4-oxobutanamide is sourced from PubChem (CID 90677133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).