N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide

C20H19ClFN3O4 — CID 10273600

IUPACN-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nn2c(C)cnc2-c2ccc(F)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C20H19ClFN3O4/c1-11-10-23-19(14-6-5-13(22)9-15(14)21)25(11)24-20(26)12-7-16(27-2)18(29-4)17(8-12)28-3/h5-10H,1-4H3,(H,24,26)
InChIKeyZPMGDTNLNZHABO-UHFFFAOYSA-N
MW419.84 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide

N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide (PubChem CID 10273600) has the molecular formula C20H19ClFN3O4 and a molecular weight of 419.84 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide
PubChem CID10273600
Molecular FormulaC20H19ClFN3O4
Molecular Weight419.84 g/mol
Exact Mass419.10
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nn2c(C)cnc2-c2ccc(F)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C20H19ClFN3O4/c1-11-10-23-19(14-6-5-13(22)9-15(14)21)25(11)24-20(26)12-7-16(27-2)18(29-4)17(8-12)28-3/h5-10H,1-4H3,(H,24,26)
InChIKeyZPMGDTNLNZHABO-UHFFFAOYSA-N
XLogP4.06
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide (CID 10273600) is N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nn2c(C)cnc2-c2ccc(F)cc2Cl)cc(OC)c1OC.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is ZPMGDTNLNZHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O4/c1-11-10-23-19(14-6-5-13(22)9-15(14)21)25(11)24-20(26)12-7-16(27-2)18(29-4)17(8-12)28-3/h5-10H,1-4H3,(H,24,26).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide?
N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 419.84 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 10273600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).