N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide

C21H23N3O3 — CID 10133431

IUPACN-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nn2c(C)cnc2-c2cc(C)ccc2C)c1
InChIInChI=1S/C21H23N3O3/c1-13-6-7-14(2)19(8-13)20-22-12-15(3)24(20)23-21(25)16-9-17(26-4)11-18(10-16)27-5/h6-12H,1-5H3,(H,23,25)
InChIKeyRTCMOLIWMNARES-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide

N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide (PubChem CID 10133431) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide
PubChem CID10133431
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nn2c(C)cnc2-c2cc(C)ccc2C)c1
InChIInChI=1S/C21H23N3O3/c1-13-6-7-14(2)19(8-13)20-22-12-15(3)24(20)23-21(25)16-9-17(26-4)11-18(10-16)27-5/h6-12H,1-5H3,(H,23,25)
InChIKeyRTCMOLIWMNARES-UHFFFAOYSA-N
XLogP3.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide (CID 10133431) is N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nn2c(C)cnc2-c2cc(C)ccc2C)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide?
The InChIKey is RTCMOLIWMNARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-6-7-14(2)19(8-13)20-22-12-15(3)24(20)23-21(25)16-9-17(26-4)11-18(10-16)27-5/h6-12H,1-5H3,(H,23,25).
What are the key properties of N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide?
N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide has a molecular weight of 365.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 10133431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).