N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide

C21H23N3O3 — CID 69444871

IUPACN-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide
SMILESCCN(C)C(=O)c1cn(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H23N3O3/c1-5-23(2)21(25)19-14-24(16-8-12-18(27-4)13-9-16)20(22-19)15-6-10-17(26-3)11-7-15/h6-14H,5H2,1-4H3
InChIKeyOTBLJUFCGGOOTG-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.65
Rot. Bonds6

About N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide

N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide (PubChem CID 69444871) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide
PubChem CID69444871
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide
SMILESCCN(C)C(=O)c1cn(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H23N3O3/c1-5-23(2)21(25)19-14-24(16-8-12-18(27-4)13-9-16)20(22-19)15-6-10-17(26-3)11-7-15/h6-14H,5H2,1-4H3
InChIKeyOTBLJUFCGGOOTG-UHFFFAOYSA-N
XLogP3.65
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
tert-butyl N-[2-[4-[4-acetyl-2-(4-methoxyphenyl)imidazol-1-yl]phenoxy]ethyl]carbamate
CID 142920134
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 58806813
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate
CID 90712631
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one
CID 142920199
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 142218254
N-ethyl-6-(4-methoxyphenyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491866
N-ethyl-2-(4-methoxyphenyl)-N-methyl-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 42836023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide (CID 69444871) is N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide is CCN(C)C(=O)c1cn(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide?
The InChIKey is OTBLJUFCGGOOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-5-23(2)21(25)19-14-24(16-8-12-18(27-4)13-9-16)20(22-19)15-6-10-17(26-3)11-7-15/h6-14H,5H2,1-4H3.
What are the key properties of N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide?
N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 69444871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).