N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide

C25H37N3O — CID 42819555

IUPACN-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide
SMILESCc1cc(C)c(Cn2ccnc2CN(C(=O)CC(C)C)C2CCCCC2)c(C)c1
InChIInChI=1S/C25H37N3O/c1-18(2)13-25(29)28(22-9-7-6-8-10-22)17-24-26-11-12-27(24)16-23-20(4)14-19(3)15-21(23)5/h11-12,14-15,18,22H,6-10,13,16-17H2,1-5H3
InChIKeySMXRBNBTOPJJLD-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.56
Rot. Bonds7

About N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide

N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide (PubChem CID 42819555) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide
PubChem CID42819555
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC NameN-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide
SMILESCc1cc(C)c(Cn2ccnc2CN(C(=O)CC(C)C)C2CCCCC2)c(C)c1
InChIInChI=1S/C25H37N3O/c1-18(2)13-25(29)28(22-9-7-6-8-10-22)17-24-26-11-12-27(24)16-23-20(4)14-19(3)15-21(23)5/h11-12,14-15,18,22H,6-10,13,16-17H2,1-5H3
InChIKeySMXRBNBTOPJJLD-UHFFFAOYSA-N
XLogP5.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide?
The IUPAC name of N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide (CID 42819555) is N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide?
The canonical SMILES for N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide is Cc1cc(C)c(Cn2ccnc2CN(C(=O)CC(C)C)C2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide?
The InChIKey is SMXRBNBTOPJJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-18(2)13-25(29)28(22-9-7-6-8-10-22)17-24-26-11-12-27(24)16-23-20(4)14-19(3)15-21(23)5/h11-12,14-15,18,22H,6-10,13,16-17H2,1-5H3.
What are the key properties of N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide?
N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide has a molecular weight of 395.59 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 42819555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).