N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide

C20H21N3O3 — CID 18111750

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cncn2-c2ccccc2)c(OC)c1
InChIInChI=1S/C20H21N3O3/c1-22(13-15-9-10-17(25-2)11-19(15)26-3)20(24)18-12-21-14-23(18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyJVZXSGZOMBQOSL-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.16
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide (PubChem CID 18111750) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
PubChem CID18111750
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cncn2-c2ccccc2)c(OC)c1
InChIInChI=1S/C20H21N3O3/c1-22(13-15-9-10-17(25-2)11-19(15)26-3)20(24)18-12-21-14-23(18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyJVZXSGZOMBQOSL-UHFFFAOYSA-N
XLogP3.16
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
CID 18112055
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55358256
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 9462410
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 51143628
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 18118141

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide (CID 18111750) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2cncn2-c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The InChIKey is JVZXSGZOMBQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-22(13-15-9-10-17(25-2)11-19(15)26-3)20(24)18-12-21-14-23(18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 18111750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).