N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide

C20H20FN3O3 — CID 18112055

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cncn2-c2ccc(F)cc2)c1OC
InChIInChI=1S/C20H20FN3O3/c1-23(12-14-5-4-6-18(26-2)19(14)27-3)20(25)17-11-22-13-24(17)16-9-7-15(21)8-10-16/h4-11,13H,12H2,1-3H3
InChIKeyRWBGFWLLBOZXLJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.30
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide (PubChem CID 18112055) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
PubChem CID18112055
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cncn2-c2ccc(F)cc2)c1OC
InChIInChI=1S/C20H20FN3O3/c1-23(12-14-5-4-6-18(26-2)19(14)27-3)20(25)17-11-22-13-24(17)16-9-7-15(21)8-10-16/h4-11,13H,12H2,1-3H3
InChIKeyRWBGFWLLBOZXLJ-UHFFFAOYSA-N
XLogP3.30
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 18272883
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 18111750
N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
CID 24515107
N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 112817413
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106685743
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192384
N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 8966714

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide (CID 18112055) is N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide is COc1cccc(CN(C)C(=O)c2cncn2-c2ccc(F)cc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The InChIKey is RWBGFWLLBOZXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-23(12-14-5-4-6-18(26-2)19(14)27-3)20(25)17-11-22-13-24(17)16-9-7-15(21)8-10-16/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 18112055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).