N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

C22H23N3O5 — CID 25067024

IUPACN-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESCOc1cc(C(=O)c2cc(-c3nccn3C)ccc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-13(26)24-17-7-6-14(22-23-8-9-25(22)2)10-16(17)20(27)15-11-18(28-3)21(30-5)19(12-15)29-4/h6-12H,1-5H3,(H,24,26)
InChIKeyHQUKVNUBZMPWJK-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.30
Rot. Bonds7

About N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (PubChem CID 25067024) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
PubChem CID25067024
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESCOc1cc(C(=O)c2cc(-c3nccn3C)ccc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-13(26)24-17-7-6-14(22-23-8-9-25(22)2)10-16(17)20(27)15-11-18(28-3)21(30-5)19(12-15)29-4/h6-12H,1-5H3,(H,24,26)
InChIKeyHQUKVNUBZMPWJK-UHFFFAOYSA-N
XLogP3.30
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25066423
formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 87613103
2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
CID 172811429
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290
N-[4-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]methanesulfonamide
CID 25067022
5-fluoro-2-methoxy-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 136578547
2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
CID 136886155
N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 66987753
2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole
CID 110539968
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (CID 25067024) is N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is COc1cc(C(=O)c2cc(-c3nccn3C)ccc2NC(C)=O)cc(OC)c1OC.
What is the InChIKey of N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The InChIKey is HQUKVNUBZMPWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-13(26)24-17-7-6-14(22-23-8-9-25(22)2)10-16(17)20(27)15-11-18(28-3)21(30-5)19(12-15)29-4/h6-12H,1-5H3,(H,24,26).
What are the key properties of N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is sourced from PubChem (CID 25067024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).