N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide

C25H22BrN3O3 — CID 46103186

IUPACN-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(-c2cccc(-n3cncc3C(=O)NCc3ccccc3Br)c2)cc1OC
InChIInChI=1S/C25H22BrN3O3/c1-31-23-11-10-18(13-24(23)32-2)17-7-5-8-20(12-17)29-16-27-15-22(29)25(30)28-14-19-6-3-4-9-21(19)26/h3-13,15-16H,14H2,1-2H3,(H,28,30)
InChIKeyGOZUEWNQPOWQNT-UHFFFAOYSA-N
MW492.37 g/mol
LogP5.25
Rot. Bonds7

About N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide

N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 46103186) has the molecular formula C25H22BrN3O3 and a molecular weight of 492.37 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide
PubChem CID46103186
Molecular FormulaC25H22BrN3O3
Molecular Weight492.37 g/mol
Exact Mass491.08
IUPAC NameN-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(-c2cccc(-n3cncc3C(=O)NCc3ccccc3Br)c2)cc1OC
InChIInChI=1S/C25H22BrN3O3/c1-31-23-11-10-18(13-24(23)32-2)17-7-5-8-20(12-17)29-16-27-15-22(29)25(30)28-14-19-6-3-4-9-21(19)26/h3-13,15-16H,14H2,1-2H3,(H,28,30)
InChIKeyGOZUEWNQPOWQNT-UHFFFAOYSA-N
XLogP5.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.37
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
CID 46101308
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 46102849
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[3-[(2S)-2-ethylhexoxy]propyl]imidazole-4-carboxamide
CID 92771062
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92770866
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103105
N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102829
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081597
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 16598960

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide (CID 46103186) is N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide is COc1ccc(-c2cccc(-n3cncc3C(=O)NCc3ccccc3Br)c2)cc1OC.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is GOZUEWNQPOWQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN3O3/c1-31-23-11-10-18(13-24(23)32-2)17-7-5-8-20(12-17)29-16-27-15-22(29)25(30)28-14-19-6-3-4-9-21(19)26/h3-13,15-16H,14H2,1-2H3,(H,28,30).
What are the key properties of N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide?
N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 492.37 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46103186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).