3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide

C25H23N3O4 — CID 130384416

IUPAC3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cn(Cc3cccc(Oc4ccccc4)c3)cn2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-30-22-12-11-19(14-23(22)31-2)25(29)27-24-16-28(17-26-24)15-18-7-6-10-21(13-18)32-20-8-4-3-5-9-20/h3-14,16-17H,15H2,1-2H3,(H,27,29)
InChIKeyNLVHRJWMADUQMN-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.99
Rot. Bonds8

About 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide

3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide (PubChem CID 130384416) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide
PubChem CID130384416
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cn(Cc3cccc(Oc4ccccc4)c3)cn2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-30-22-12-11-19(14-23(22)31-2)25(29)27-24-16-28(17-26-24)15-18-7-6-10-21(13-18)32-20-8-4-3-5-9-20/h3-14,16-17H,15H2,1-2H3,(H,27,29)
InChIKeyNLVHRJWMADUQMN-UHFFFAOYSA-N
XLogP4.99
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
(3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072244
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
CID 130384064
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19341334
N-[1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209383
N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085132
N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
CID 7614445
N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 82343837
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide (CID 130384416) is 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide is COc1ccc(C(=O)Nc2cn(Cc3cccc(Oc4ccccc4)c3)cn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide?
The InChIKey is NLVHRJWMADUQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-30-22-12-11-19(14-23(22)31-2)25(29)27-24-16-28(17-26-24)15-18-7-6-10-21(13-18)32-20-8-4-3-5-9-20/h3-14,16-17H,15H2,1-2H3,(H,27,29).
What are the key properties of 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide?
3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide is sourced from PubChem (CID 130384416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).