N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine

C34H43N3O3 — CID 69326872

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1c(OC)cc(OC)cc1OC)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C34H43N3O3/c1-6-8-20-36(24-29-31(39-4)22-28(38-3)23-32(29)40-5)25-30-33(26-16-12-10-13-17-26)35-34(37(30)21-9-7-2)27-18-14-11-15-19-27/h10-19,22-23H,6-9,20-21,24-25H2,1-5H3
InChIKeyXYDFNIQVIOJDSV-UHFFFAOYSA-N
MW541.74 g/mol
LogP7.85
Rot. Bonds15

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine (PubChem CID 69326872) has the molecular formula C34H43N3O3 and a molecular weight of 541.74 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine
PubChem CID69326872
Molecular FormulaC34H43N3O3
Molecular Weight541.74 g/mol
Exact Mass541.33
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1c(OC)cc(OC)cc1OC)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C34H43N3O3/c1-6-8-20-36(24-29-31(39-4)22-28(38-3)23-32(29)40-5)25-30-33(26-16-12-10-13-17-26)35-34(37(30)21-9-7-2)27-18-14-11-15-19-27/h10-19,22-23H,6-9,20-21,24-25H2,1-5H3
InChIKeyXYDFNIQVIOJDSV-UHFFFAOYSA-N
XLogP7.85
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine (CID 69326872) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine is CCCCN(Cc1c(OC)cc(OC)cc1OC)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine?
The InChIKey is XYDFNIQVIOJDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O3/c1-6-8-20-36(24-29-31(39-4)22-28(38-3)23-32(29)40-5)25-30-33(26-16-12-10-13-17-26)35-34(37(30)21-9-7-2)27-18-14-11-15-19-27/h10-19,22-23H,6-9,20-21,24-25H2,1-5H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine has a molecular weight of 541.74 g/mol, XLogP of 7.85, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 69326872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).