N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide

C20H19Cl2N3O2 — CID 91404705

IUPACN-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1c(C)ncn1C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-13-19(24(2)12-23-13)20(26)25(17-9-15(21)8-16(22)10-17)11-14-6-4-5-7-18(14)27-3/h4-10,12H,11H2,1-3H3
InChIKeyOMVKVTKBGXPHPW-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.89
Rot. Bonds5

About N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide

N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide (PubChem CID 91404705) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide
PubChem CID91404705
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC NameN-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1c(C)ncn1C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-13-19(24(2)12-23-13)20(26)25(17-9-15(21)8-16(22)10-17)11-14-6-4-5-7-18(14)27-3/h4-10,12H,11H2,1-3H3
InChIKeyOMVKVTKBGXPHPW-UHFFFAOYSA-N
XLogP4.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide (CID 91404705) is N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide is COc1ccccc1CN(C(=O)c1c(C)ncn1C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The InChIKey is OMVKVTKBGXPHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-13-19(24(2)12-23-13)20(26)25(17-9-15(21)8-16(22)10-17)11-14-6-4-5-7-18(14)27-3/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide?
N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 91404705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).