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

C21H22FN3O4 — CID 46516165

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)cc(OC)c1OC
InChIInChI=1S/C21H22FN3O4/c1-25-10-9-23-20(25)18(13-5-7-15(22)8-6-13)24-21(26)14-11-16(27-2)19(29-4)17(12-14)28-3/h5-12,18H,1-4H3,(H,24,26)
InChIKeyWXNDEMHBHBCHOH-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.10
Rot. Bonds7

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

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 46516165) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID46516165
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)cc(OC)c1OC
InChIInChI=1S/C21H22FN3O4/c1-25-10-9-23-20(25)18(13-5-7-15(22)8-6-13)24-21(26)14-11-16(27-2)19(29-4)17(12-14)28-3/h5-12,18H,1-4H3,(H,24,26)
InChIKeyWXNDEMHBHBCHOH-UHFFFAOYSA-N
XLogP3.10
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-Imidazol-1-yl-propyl)-3,5-dimethoxy-benzamide
CID 4098737
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 5301742
N-[3-(1H-imidazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 652033
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
[2-(4-fluorophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 49787762
(3,4,5-Trimethoxyphenyl)(5-phenyl-1h-imidazol-2-yl)methanone
CID 71543391
[5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 71625640
[5-(4-Methoxyphenyl)-1H-imidazol-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 71625645
(4-Methoxyphenyl)[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone
CID 71625876
(4-Phenyl-1-propyl-1H-imidazol-2-yl)(3,4,5-trimethoxyphenyl)methanone
CID 71716797
(1-Methyl-4-phenyl-1H-imidazol-2-yl)(3,4,5-trimethoxyphenyl)methanone
CID 71717412

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide (CID 46516165) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)cc(OC)c1OC.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WXNDEMHBHBCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-25-10-9-23-20(25)18(13-5-7-15(22)8-6-13)24-21(26)14-11-16(27-2)19(29-4)17(12-14)28-3/h5-12,18H,1-4H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 399.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 46516165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).