N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide

C30H33N3O6 — CID 90681306

IUPACN-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(Cc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C30H33N3O6/c1-33-25(16-20-9-13-23(36-3)14-10-20)24(15-19-7-11-22(35-2)12-8-19)31-30(33)32-29(34)21-17-26(37-4)28(39-6)27(18-21)38-5/h7-14,17-18H,15-16H2,1-6H3,(H,31,32,34)
InChIKeyPREJXESUAAUECY-UHFFFAOYSA-N
MW531.61 g/mol
LogP4.90
Rot. Bonds11

About N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide

N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 90681306) has the molecular formula C30H33N3O6 and a molecular weight of 531.61 g/mol. Its IUPAC name is N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID90681306
Molecular FormulaC30H33N3O6
Molecular Weight531.61 g/mol
Exact Mass531.24
IUPAC NameN-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(Cc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C30H33N3O6/c1-33-25(16-20-9-13-23(36-3)14-10-20)24(15-19-7-11-22(35-2)12-8-19)31-30(33)32-29(34)21-17-26(37-4)28(39-6)27(18-21)38-5/h7-14,17-18H,15-16H2,1-6H3,(H,31,32,34)
InChIKeyPREJXESUAAUECY-UHFFFAOYSA-N
XLogP4.90
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.61
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide (CID 90681306) is N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide is COc1ccc(Cc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is PREJXESUAAUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O6/c1-33-25(16-20-9-13-23(36-3)14-10-20)24(15-19-7-11-22(35-2)12-8-19)31-30(33)32-29(34)21-17-26(37-4)28(39-6)27(18-21)38-5/h7-14,17-18H,15-16H2,1-6H3,(H,31,32,34).
What are the key properties of N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide?
N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 531.61 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 90681306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).