N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide

C20H20BrN3O2 — CID 10112438

IUPACN-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)Nn2c(-c3ccccc3Br)nc(C)c2C)c1C
InChIInChI=1S/C20H20BrN3O2/c1-12-15(9-7-11-18(12)26-4)20(25)23-24-14(3)13(2)22-19(24)16-8-5-6-10-17(16)21/h5-11H,1-4H3,(H,23,25)
InChIKeyAYYBTCGDDMHLSF-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.63
Rot. Bonds4

About N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide

N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide (PubChem CID 10112438) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide
PubChem CID10112438
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC NameN-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)Nn2c(-c3ccccc3Br)nc(C)c2C)c1C
InChIInChI=1S/C20H20BrN3O2/c1-12-15(9-7-11-18(12)26-4)20(25)23-24-14(3)13(2)22-19(24)16-8-5-6-10-17(16)21/h5-11H,1-4H3,(H,23,25)
InChIKeyAYYBTCGDDMHLSF-UHFFFAOYSA-N
XLogP4.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide (CID 10112438) is N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)Nn2c(-c3ccccc3Br)nc(C)c2C)c1C.
What is the InChIKey of N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide?
The InChIKey is AYYBTCGDDMHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-12-15(9-7-11-18(12)26-4)20(25)23-24-14(3)13(2)22-19(24)16-8-5-6-10-17(16)21/h5-11H,1-4H3,(H,23,25).
What are the key properties of N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide?
N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide has a molecular weight of 414.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 10112438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).