N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine

C33H41N3O3 — CID 69326311

IUPACN-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(OC)c(OC)c1OC)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCC
InChIInChI=1S/C33H41N3O3/c1-6-8-22-35(23-27-19-20-29(37-3)32(39-5)31(27)38-4)24-28-30(25-15-11-9-12-16-25)34-33(36(28)21-7-2)26-17-13-10-14-18-26/h9-20H,6-8,21-24H2,1-5H3
InChIKeyFEHRCKFGBLQMFD-UHFFFAOYSA-N
MW527.71 g/mol
LogP7.46
Rot. Bonds14

About N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine

N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine (PubChem CID 69326311) has the molecular formula C33H41N3O3 and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
PubChem CID69326311
Molecular FormulaC33H41N3O3
Molecular Weight527.71 g/mol
Exact Mass527.31
IUPAC NameN-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(OC)c(OC)c1OC)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCC
InChIInChI=1S/C33H41N3O3/c1-6-8-22-35(23-27-19-20-29(37-3)32(39-5)31(27)38-4)24-28-30(25-15-11-9-12-16-25)34-33(36(28)21-7-2)26-17-13-10-14-18-26/h9-20H,6-8,21-24H2,1-5H3
InChIKeyFEHRCKFGBLQMFD-UHFFFAOYSA-N
XLogP7.46
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
CID 1355348
Ndt-9513727
CID 10210160
Phenol, 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,6-dimethoxy-
CID 1842049
N,N-bis(1,3-benzodioxol-5-ylmethyl)-3-butyl-2,5-diphenylimidazol-4-amine
CID 24970311
(1-propyl-1H-benzimidazol-2-yl)(3,4,5-trimethoxyphenyl)methanol
CID 2881820
1-(2-Naphthyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11639084
1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11688687
N,N-diethyl-4-(2,4,5-trimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 9848137
5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
CID 71717474
5-Phenyl-4-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
CID 71718679
4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
CID 154667056
2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
CID 154667091

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine (CID 69326311) is N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine is CCCCN(Cc1ccc(OC)c(OC)c1OC)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCC.
What is the InChIKey of N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine?
The InChIKey is FEHRCKFGBLQMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O3/c1-6-8-22-35(23-27-19-20-29(37-3)32(39-5)31(27)38-4)24-28-30(25-15-11-9-12-16-25)34-33(36(28)21-7-2)26-17-13-10-14-18-26/h9-20H,6-8,21-24H2,1-5H3.
What are the key properties of N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine?
N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine has a molecular weight of 527.71 g/mol, XLogP of 7.46, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 69326311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).