N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide

C19H17Cl2N3O2 — CID 10221962

IUPACN-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(-c3ccc(Cl)cc3Cl)nc(C)c2C)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-11-12(2)24(18(22-11)16-9-6-14(20)10-17(16)21)23-19(25)13-4-7-15(26-3)8-5-13/h4-10H,1-3H3,(H,23,25)
InChIKeyXNDMOUBGLKQAKL-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.87
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide

N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide (PubChem CID 10221962) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide
PubChem CID10221962
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(-c3ccc(Cl)cc3Cl)nc(C)c2C)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-11-12(2)24(18(22-11)16-9-6-14(20)10-17(16)21)23-19(25)13-4-7-15(26-3)8-5-13/h4-10H,1-3H3,(H,23,25)
InChIKeyXNDMOUBGLKQAKL-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide (CID 10221962) is N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nn2c(-c3ccc(Cl)cc3Cl)nc(C)c2C)cc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide?
The InChIKey is XNDMOUBGLKQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-11-12(2)24(18(22-11)16-9-6-14(20)10-17(16)21)23-19(25)13-4-7-15(26-3)8-5-13/h4-10H,1-3H3,(H,23,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide?
N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide has a molecular weight of 390.27 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide is sourced from PubChem (CID 10221962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).